data_2k7y_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 2k7y _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -91.71 -24.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.45 -52.3 58.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -73.01 -13.25 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.62 -37.55 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.1 mt -68.54 -32.24 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.8 t0 -49.17 -35.53 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -24.69 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -85.76 -24.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.6 t -110.35 -3.31 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.372 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.47 -28.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.04 -20.47 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -18.34 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -20.04 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -138.82 -47.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.468 ' HA2' ' CB ' ' A' ' 76' ' ' TRP . . . -170.33 -86.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 163.6 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -76.69 71.27 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.64 -40.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -136.05 13.98 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.51 60.41 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -102.94 -51.19 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -79.92 -52.07 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ALA . 9.3 pt-20 -60.97 -22.93 64.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -38.74 -35.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.71 -31.93 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -65.43 -52.35 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -56.73 -17.93 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -24.73 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.95 -67.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 65' ' ' SER . 1.7 pm0 -48.48 -42.4 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 6.6 mmt180 -118.14 141.5 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.47 -13.85 12.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -86.69 -9.06 56.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.0 31.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.45 65.62 72.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.586 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 -25.87 11.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.586 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 p90 -93.45 -39.13 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 78' ' ' VAL . 48.0 t0 -75.84 -36.2 59.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -132.52 -46.25 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -19.15 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -10.42 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.82 -38.03 74.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CD1' ' CD ' ' A' ' 69' ' ' GLU . 4.1 mt -64.66 -34.51 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.0 t0 -48.7 -34.84 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -25.5 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.6 -25.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.9 t -110.68 -3.76 15.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' ASP . 17.2 pt-20 -37.13 -42.77 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.34 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . -69.62 -69.62 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -15.61 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.7 t0 -86.49 44.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.8 t 159.92 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.42 91.34 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 36.6 t30 -39.99 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 8.0 mt-10 -82.25 49.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -137.04 -44.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -144.67 23.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -37.21 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.77 -75.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -38.92 -35.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 5.5 pt-20 -60.11 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 72.78 -57.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -110.01 -6.16 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 -29.22 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -87.18 -1.05 57.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 -43.1 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.43 -31.8 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CD ' ' CD1' ' A' ' 43' ' ' ILE . 2.4 mm-40 -107.82 -75.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 5.9 mmt180 -61.24 -174.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.07 -37.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -9.88 58.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt 44.62 36.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.05 63.77 63.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.5 p90 -78.18 -33.63 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -116.78 59.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -122.91 -43.56 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -22.07 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -17.41 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.06 -32.05 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -70.02 -36.96 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.89 -29.41 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -82.0 -24.53 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.5 mm -87.96 -24.1 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -107.84 -4.47 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.28 -30.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -19.75 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . . . -73.68 -59.86 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -6.46 38.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -90.06 26.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t 176.57 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' SER . . . 137.6 96.82 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -44.08 -26.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 54' ' ' GLY . 6.8 mt-10 -87.8 34.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.9 p -121.78 -38.22 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 1.3 mt-10 -160.23 26.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.23 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 2.6 m-20 70.23 -61.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' GLY . 1.8 tp60 -58.53 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 50' ' ' ALA . 2.9 mt-10 -55.74 -22.79 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 10.4 tp10 -43.66 -42.48 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 1.1 pt? -114.86 -11.8 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.443 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -82.69 -46.94 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 -3.87 33.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 64' ' ' LEU . 5.6 p -66.54 -33.58 64.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HG2' ' CG1' ' A' ' 68' ' ' VAL . 26.2 mm-40 -100.5 -73.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -70.73 -178.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.91 31.13 0.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -116.1 -8.49 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.589 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.88 31.78 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.51 65.77 72.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.97 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -84.86 -40.24 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 5.6 t0 -74.83 -35.1 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 16.0 mm -57.03 -18.29 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.58 -14.34 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -61.23 -33.02 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' THR . 7.6 mt -79.7 -31.28 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -48.56 -35.69 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -25.78 42.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.89 -25.02 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 t -109.96 -1.76 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -43.08 -29.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -53.76 -28.51 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.22 -66.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -13.93 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -86.15 42.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 162.94 -28.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 155.13 -72.34 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.4 t30 151.7 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -87.32 15.39 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -0.27 21.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.3 tt0 -123.75 -55.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 33.4 83.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -164.74 -87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -43.96 87.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.2 pt-20 -60.0 -148.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 69.2 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -103.25 -8.74 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -20.34 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.65 -12.42 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -16.29 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.3 t -88.77 -73.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' CD ' ' CD1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -60.78 -68.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -70.3 -163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.27 -34.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -73.13 -8.4 55.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 109.57 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER 39.96 32.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 72' ' ' HIS . . . -131.18 68.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.02 -35.92 2.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.3 p90 -82.07 -33.01 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -112.73 57.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.36 -47.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 4.2 p30 -57.6 -34.01 68.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -16.15 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.68 -41.43 81.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 4.1 mt -67.93 -32.54 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -34.2 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -24.66 36.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -85.81 -24.91 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.2 t -110.26 1.47 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.86 -26.01 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -66.78 -24.13 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.52 -65.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' SER . 1.2 pt-20 -52.85 -26.69 15.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.43 -29.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' GLU . 51.1 m -116.7 -59.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.34 39.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.494 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 44.0 t30 79.83 -54.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.65 66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.05 -43.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -147.61 25.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.81 -118.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 69.37 -61.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -59.37 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 1.7 pt-20 -45.31 -27.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 6.1 tt0 -38.89 -45.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.07 -2.75 9.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -31.58 14.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.469 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.8 10.12 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -22.76 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.09 -25.36 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -71.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' ' NE2' ' A' ' 72' ' ' HIS . 11.1 mmp_? -52.29 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.16 -36.55 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' NE2' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -72.15 -8.28 53.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.601 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' HIS . 2.1 mt 40.17 40.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.09 65.31 73.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.614 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.93 -30.77 6.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.614 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.8 p90 -86.56 -31.31 21.3 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.56 48.48 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.38 -46.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -31.73 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.37 12.3 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.59 -34.01 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.1 mp -57.28 -27.47 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -53.0 -47.57 68.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 1.5 mpt_? -77.83 2.01 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -111.67 -20.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.8 t -118.65 -4.49 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -38.22 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -48.28 -23.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -68.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -19.69 29.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -57.33 -22.16 40.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -124.17 -50.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 158.9 42.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 43.2 t-20 68.98 -66.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLU . 25.5 mt-10 -38.65 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.08 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER 168.34 51.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.51 58.24 2.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.16 -39.19 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.12 -58.62 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 13.9 pt-20 -56.94 -22.62 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.77 -25.27 64.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.62 3.9 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.2 -49.81 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -74.07 -12.64 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 5.82 43.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.19 -21.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.72 -74.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NH1' ' NE2' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -44.2 132.71 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.74 -24.22 4.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' NE2' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -75.26 -12.43 60.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.615 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.5 OUTLIER 40.04 38.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.18 67.18 80.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.98 -35.72 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.4 p90 -82.77 -36.42 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -112.33 60.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 61.2 mt -40.24 -29.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' SER . 4.6 m-20 -57.33 -71.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' CA ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.59 -12.54 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -60.57 -32.52 71.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -76.17 -30.5 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.5 -35.64 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -25.49 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -84.96 -24.8 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.1 t -107.9 -2.37 19.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -47.6 -26.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -62.72 -16.37 57.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -74.82 -51.46 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -81.73 7.28 12.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -106.31 25.05 11.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -174.69 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 146.22 82.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 9.5 m-80 -39.19 -33.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' OE2' ' CZ2' ' A' ' 76' ' ' TRP . 3.4 mt-10 -83.79 66.28 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 -44.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 tp10 -132.2 5.82 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 67.95 -59.89 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 3.8 t0 82.02 -58.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' GLU . 3.2 tp60 177.75 -33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 15.7 pt-20 -38.28 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.1 pt-20 -37.43 -42.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.67 4.92 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.69 -27.16 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -84.0 5.16 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.5 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.73 -36.75 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' ' CA ' ' A' ' 41' ' ' ARG . 2.4 tp10 -101.83 -71.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 8.5 mmt85 -57.66 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -166.99 -39.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -67.82 -17.77 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.583 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 49.07 23.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.496 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.72 60.66 37.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.638 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.03 1.01 8.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.638 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 25.6 p90 -99.38 -36.82 9.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 25.6 t0 -89.44 -29.2 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 5.1 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.87 -26.52 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -43.9 66.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.05 20.32 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -40.79 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.5 mp -51.79 -22.39 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -54.38 -50.6 67.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.62 3.24 16.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -110.81 -21.16 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -117.35 -4.98 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 12.8 pt-20 -41.63 -35.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -48.34 -23.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -58.9 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -75.39 -28.55 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.231 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -40.25 -30.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 51' ' ' GLU . 10.6 t -102.53 -65.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.1 38.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.635 ' ND2' ' CZ3' ' A' ' 76' ' ' TRP . 54.5 t30 77.81 -54.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.94 69.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -158.8 -43.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -142.11 21.76 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.07 61.08 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' GLU . 33.7 m-20 -134.02 -46.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.88 -44.66 84.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 2.3 pt-20 -63.64 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 19.5 tt0 69.27 -59.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.0 pp -99.02 -10.72 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.96 -20.71 13.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' ARG . . . -83.32 -11.81 57.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -46.99 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.68 -38.49 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -90.51 -70.55 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 14.0 mmt180 -85.57 -150.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.43 -35.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -15.97 63.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.565 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.29 42.28 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.51 64.31 68.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.635 ' CZ3' ' ND2' ' A' ' 55' ' ' ASN . 32.6 p90 -90.47 -42.66 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -73.23 -45.89 53.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.89 -35.07 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.59 -56.13 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 25.54 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.04 -49.99 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -61.84 -14.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.06 -41.81 93.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -17.95 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.81 -25.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 t -109.89 -4.56 15.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 1.2 pp20? -39.63 -32.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.12 -22.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.35 -70.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -48.86 -26.1 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 51' ' ' GLU . 13.1 t -124.98 -66.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -173.45 30.83 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' SER . 45.0 t30 76.44 -55.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.7 67.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -155.0 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.77 21.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -58.14 -112.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 68.73 -65.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -50.68 -33.76 23.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.5 pt-20 -61.24 -147.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 6.0 tt0 69.34 -59.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 pp -102.91 -10.98 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.03 -19.94 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.38 -2.89 58.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.89 -44.04 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.84 -44.95 96.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 43' ' ' ILE . 1.8 mm-40 -93.06 -75.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -68.87 -169.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.08 -37.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -11.01 60.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.786 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.14 42.29 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.58 63.74 65.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.98 -22.95 14.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.0 p90 -96.13 -29.83 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 16.7 t0 -110.47 37.47 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' ASP . 31.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -60.23 -26.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -50.71 49.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 7.63 26.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.31 -36.61 63.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 mt -67.32 -32.03 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.94 -34.97 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.66 -24.92 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.33 -24.85 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.7 t -109.97 1.96 19.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -26.19 4.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -23.14 62.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -72.8 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -49.42 -27.58 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -15.87 26.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.08 -43.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE3' ' A' ' 76' ' ' TRP . . . 156.69 -24.56 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 4.0 t30 80.15 -53.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' CH2' ' A' ' 76' ' ' TRP . 36.3 mt-10 -66.96 67.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -153.56 -46.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 4.24 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 71.79 -53.11 1.28 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 2.8 m-20 80.06 -60.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 2.0 tp-100 176.07 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 6.9 pt-20 -66.58 -9.6 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -39.83 -44.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.14 -6.42 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -88.57 -17.38 30.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.18 4.71 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.29 -14.5 14.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.91 -23.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -117.8 -56.56 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 14.0 mmp_? -76.76 -175.22 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.03 -39.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -69.82 -12.13 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.72 41.79 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.28 63.15 59.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.616 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.91 -31.63 6.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.9 p90 -84.77 -29.79 25.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 108.023 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -115.59 48.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.319 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 5.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.3 mt -44.72 -26.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -65.6 -60.04 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -87.59 11.76 14.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.4 tm? -77.06 -48.06 18.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.6 mt -64.38 -34.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.6 t0 -49.27 -34.37 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -24.74 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -85.55 -25.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 1.9 t -115.46 5.82 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.56 -22.27 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . . . -77.45 -65.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -15.63 12.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -86.48 44.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.7 t 159.02 -25.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 130.42 97.53 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.481 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 8.3 t30 -38.88 -38.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.95 54.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -139.77 -44.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -150.99 26.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -36.29 -91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 40.35 49.74 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 178.47 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' OE1' ' CB ' ' A' ' 50' ' ' ALA . 3.9 pt-20 -105.45 -17.4 14.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.45 -20.6 56.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 pp -113.33 -27.68 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -51.74 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -55.41 -20.63 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.98 3.03 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 t -126.0 -43.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.93 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 4.7 mmp_? -38.79 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.84 -51.49 3.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.82 46.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.58 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt 49.98 38.65 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.9 64.38 66.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.97 -32.65 5.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.623 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 38.6 p90 -82.44 -25.65 33.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.76 57.06 1.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 75' ' ' PRO . 5.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.88 -22.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 94.3 m-20 -77.02 -18.18 58.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.27 3.21 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.66 -41.42 75.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.8 mt -60.69 -34.76 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.06 -33.93 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 -24.43 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.08 -25.5 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -110.19 0.09 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.35 -25.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.06 -14.64 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . . . -85.56 -62.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -22.46 59.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -19.41 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.2 t -140.31 -49.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -169.36 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t30 154.68 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -82.82 67.2 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.22 -42.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 49' ' ' ARG . 2.6 pp20? -133.17 14.2 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -52.59 -105.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER 63.78 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' GLY . 6.0 tp60 -38.72 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ASP . 5.9 pt-20 -59.36 -149.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 76.93 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.268 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -117.94 -6.43 10.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -44.21 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -69.08 -7.97 40.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.523 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -94.46 -52.45 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 69' ' ' GLU . 9.8 p -69.09 -52.53 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' CD ' ' A' ' 70' ' ' ARG . 5.1 tt0 -67.2 -65.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CD ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -76.77 -85.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.54 -47.52 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -74.62 -3.49 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.611 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 38.85 37.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -131.27 65.82 77.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.594 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.421 1.748 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.594 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.1 p90 -93.17 -40.83 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -73.62 -42.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 75' ' ' PRO . 10.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.6 mm -124.95 -44.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -29.21 68.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -99.18 -15.81 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tp -48.85 -27.38 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.9 mt -59.63 -33.16 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t70 -53.12 -34.31 56.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -81.62 -18.8 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.67 -23.97 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.8 t -111.46 -4.81 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -36.12 -34.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -44.55 -25.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -76.45 -71.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.92 -19.91 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.39 -21.13 63.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -124.27 -0.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . 112.01 -4.85 27.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.2 m-80 76.93 -54.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.16 69.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.78 -42.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 59' ' ' GLY . 4.2 mt-10 -145.14 21.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.91 -97.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER 66.93 -71.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -37.55 -40.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 5.5 pt-20 -59.95 -148.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 7.5 tt0 70.0 -58.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.52 -10.01 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -26.3 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.6 1.25 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.2 -31.56 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.6 p -84.36 -30.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 68' ' ' VAL . 35.8 mm-40 -106.23 -60.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CD ' ' NE2' ' A' ' 72' ' ' HIS . 4.0 mmt85 -78.16 -175.12 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -163.56 -39.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.483 ' NE2' ' CD ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -67.84 -17.27 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.783 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER 48.03 23.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.62 60.87 39.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.649 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 1.81 7.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.649 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 21.2 p90 -97.93 -30.22 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 14.9 t0 -96.75 -30.88 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 1.9 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.0 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.27 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 69' ' ' GLU . 1.7 m-20 -56.37 -18.37 10.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 -18.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -53.96 -40.33 66.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 mt -58.6 -35.52 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t0 -49.78 -35.07 21.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -23.98 39.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CG1' HD11 ' A' ' 42' ' ' LEU . 4.4 mm -86.4 -25.24 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.5 t -111.62 0.47 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -43.54 -26.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -57.46 -16.63 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.72 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -26.28 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.91 -32.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 m -108.47 -67.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 177.73 36.51 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 43.8 t30 81.2 -52.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.91 69.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -157.29 -43.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.98 19.24 1.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.7 59.53 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.38 -45.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -71.88 -58.33 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ALA . 12.4 pt-20 -60.31 -23.53 64.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -13.82 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -85.77 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -57.5 -17.77 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 7.54 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.82 -40.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 2.1 mm-40 -107.24 -64.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -166.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.83 -35.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -14.05 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.82 41.88 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -132.9 64.93 72.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.09 -29.55 7.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.9 p90 -88.62 -31.77 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 108.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' A' ' 78' ' ' VAL . 2.4 t0 -82.73 -63.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' ALA . 38.2 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.08 -46.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -45.4 89.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -4.5 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.13 -39.4 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.9 mt -67.73 -24.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.0 t0 -53.26 -38.81 63.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -20.73 47.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.07 -25.37 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.7 t -112.01 0.12 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -43.15 -26.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -56.48 -17.31 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.58 -62.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -15.23 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.26 -17.2 61.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 t -125.61 -42.34 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 159.23 -24.97 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 30.2 t30 85.62 -47.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.598 ' CD ' ' CH2' ' A' ' 76' ' ' TRP . 16.2 mt-10 -76.96 54.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -138.34 -44.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -96.13 -30.39 13.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 32.36 69.56 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.7 -87.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -51.34 -44.91 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' LEU . 2.0 pt-20 -60.3 -148.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 69.52 -58.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -102.7 -13.18 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -20.9 13.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.35 -13.78 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -93.49 -31.83 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.9 t -73.29 -64.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.63 -45.88 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.9 168.97 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.0 -39.26 0.24 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -30.61 70.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 67.04 40.98 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 78' ' ' VAL . . . -133.48 63.26 64.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.614 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.04 -32.81 5.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.614 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.8 p90 -83.16 -31.69 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -118.94 59.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 74' ' ' ALA . 18.6 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' NH1' ' A' ' 41' ' ' ARG . 47.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.26 -28.07 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.24 -53.94 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' NH1' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -86.05 12.37 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.74 -31.3 66.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.6 mt -57.98 -33.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 13.3 t0 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.39 -19.78 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -91.01 -24.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 t -112.48 -1.46 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' ASP . 17.1 pt-20 -38.5 -46.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.5 -29.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -66.16 -67.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 70' ' ' ARG . 1.4 pm0 -71.53 -5.86 36.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.13 32.59 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.91 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 159.43 87.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 50.9 t30 -43.87 -26.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' OE2' ' CH2' ' A' ' 76' ' ' TRP . 33.3 mt-10 -86.13 41.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.15 -42.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -147.5 28.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.34 60.73 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' GLU . 74.9 m-20 -82.18 -31.31 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -47.22 14.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 63' ' ' GLU . 9.1 mt-10 -53.69 -18.46 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.6 tt0 -35.95 -45.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.479 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 1.2 pt? -129.38 4.49 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.36 -14.51 21.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.85 -12.29 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.47 -38.88 7.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 64' ' ' LEU . 35.4 m -55.6 -52.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 70' ' ' ARG . 3.2 tt0 -98.18 -80.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 51' ' ' GLU . 16.6 mmt85 -53.28 -171.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -166.1 -39.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -19.42 65.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.641 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 52.65 43.18 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.19 62.79 58.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.616 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.96 -25.02 12.34 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.1 p90 -93.57 -45.34 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 107.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -41.27 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.0 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -137.34 -47.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -13.12 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.49 -13.79 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -50.85 -27.48 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -59.89 -31.15 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 7.0 t70 -55.3 -32.29 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.17 -15.19 47.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.15 -23.14 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.5 t -107.68 -8.73 16.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 49' ' ' ARG . 12.0 pt-20 -37.7 -44.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -40.33 -28.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -64.43 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -17.77 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' SER . 54.4 m-20 -88.48 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 163.73 -63.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.09 85.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.562 HD22 ' N ' ' A' ' 76' ' ' TRP . 14.6 p30 -63.87 -12.07 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.592 ' OE2' ' CE3' ' A' ' 76' ' ' TRP . 1.9 mt-10 -88.58 19.44 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.53 -18.29 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -107.67 -45.72 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 37.19 59.26 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.23 -79.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -47.2 8.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' LEU . 2.6 pt-20 -60.17 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 28.8 tp10 69.13 -58.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.8 pp -103.27 -12.48 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.54 -20.87 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.45 -11.79 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.67 -63.1 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -45.07 -38.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 44' ' ' ASP . 25.0 tt0 -90.41 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -79.56 159.59 26.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.15 -33.43 1.05 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -68.21 -18.88 64.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.576 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 mt 45.93 45.25 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.442 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.07 62.89 59.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.645 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.1 Cg_endo -75.02 -30.67 6.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.645 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 40.8 p90 -82.48 -37.92 24.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.47 68.84 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 66.2 mt -46.99 -25.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.24 -64.63 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -77.42 -0.89 27.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 1.1 tm? -70.08 -40.5 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -67.94 -31.52 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' OD2' ' NH2' ' A' ' 70' ' ' ARG . 1.6 t0 -49.31 -36.29 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.67 -24.42 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 mm -85.87 -24.99 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -109.48 -3.43 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -42.53 -30.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.39 -20.61 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.26 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -27.56 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.39 -28.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -113.55 -67.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 55' ' ' ASN . . . 173.87 37.93 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.696 ' CB ' ' CZ3' ' A' ' 76' ' ' TRP . 1.5 t-20 67.36 -57.82 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' GLY . 37.8 mt-10 -63.66 72.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -162.2 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 2.2 mp0 -148.36 24.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 60.53 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' GLU . 1.2 m-20 -114.1 -35.86 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -83.22 -52.9 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -48.71 -23.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 tt0 -36.96 -47.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.26 -0.33 8.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -33.02 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -81.43 -2.38 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -20.78 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.4 -39.56 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -102.4 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 25.1 mmt180 -83.87 -158.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.64 -36.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -12.11 61.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' HD3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 40.45 41.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.49 65.22 74.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.603 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.95 -34.52 3.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.696 ' CZ3' ' CB ' ' A' ' 55' ' ' ASN . 32.2 p90 -83.11 -38.12 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -110.19 57.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -49.61 -36.93 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -54.79 -21.05 9.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -33.6 10.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 46' ' ' ILE . 2.1 tp -46.74 -62.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.3 mt -63.53 -41.22 91.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 2.1 t70 -48.29 -29.8 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -31.71 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 mm -81.27 -27.94 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -104.62 -3.88 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ASP . 8.7 pt-20 -39.07 -35.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -47.49 -24.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -76.34 -69.55 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -59.86 -14.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.9 -9.21 43.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 m -150.59 -45.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 164.44 90.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 18.8 t30 -38.38 -31.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.602 ' CG ' ' CZ3' ' A' ' 76' ' ' TRP . 2.9 mt-10 -83.74 47.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -133.68 -43.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.0 mt-10 -149.39 32.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -34.25 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 56.92 41.87 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.05 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -36.12 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 2.9 pp -127.57 2.96 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -41.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.25 0.96 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -52.16 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 4.8 p -65.82 -20.7 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' CG1' ' A' ' 68' ' ' VAL . 11.3 mm-40 -117.37 -72.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 8.7 mmt180 -71.72 -170.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.05 -39.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -23.28 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.603 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt 64.2 39.56 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.18 63.25 55.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.788 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.618 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -75.13 -33.46 61.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.07 47.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.9 mt -52.08 -54.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -18.33 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.44 -17.27 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.1 tm? -59.11 -54.41 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . 24.8 mt -55.99 -43.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.34 -31.52 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -32.73 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.9 mm -79.87 -27.59 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.0 t -105.6 -1.4 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -44.29 -35.94 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -51.91 -25.55 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.63 -69.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.58 -21.38 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.9 t70 -58.22 -17.8 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.0 m -138.67 -46.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 165.08 91.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -41.71 -27.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' CG ' ' CH2' ' A' ' 76' ' ' TRP . 1.6 mt-10 -87.13 37.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -127.32 -40.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -152.36 25.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -39.04 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 65.14 -76.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 3.2 tp60 -47.37 -38.27 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -70.84 -29.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASP . 42.7 tt0 -49.12 -22.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 1.4 pp -121.69 -37.74 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -71.51 -47.74 53.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -75.61 -2.12 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.56 19.72 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 72.8 t -128.77 -49.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -49.89 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' NH1' ' CE1' ' A' ' 72' ' ' HIS . 5.7 mmp_? -68.24 128.46 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.44 -32.41 1.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' NH1' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -71.81 -13.86 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.88 35.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.34 66.01 73.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -25.79 11.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 56' ' ' GLU . 33.3 p90 -92.73 -45.66 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.432 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 2.7 t0 -71.82 -41.38 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -54.17 -34.58 60.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -91.71 -24.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.45 -52.3 58.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -73.01 -13.25 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.62 -37.55 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.1 mt -68.54 -32.24 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.8 t0 -49.17 -35.53 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -24.69 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -85.76 -24.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.6 t -110.35 -3.31 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.372 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.47 -28.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.04 -20.47 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -18.34 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -20.04 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -138.82 -47.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.468 ' HA2' ' CB ' ' A' ' 76' ' ' TRP . . . -170.33 -86.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 163.6 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -76.69 71.27 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.64 -40.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -136.05 13.98 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.51 60.41 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -102.94 -51.19 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -79.92 -52.07 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' ALA . 9.3 pt-20 -60.97 -22.93 64.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -38.74 -35.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.71 -31.93 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -65.43 -52.35 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -56.73 -17.93 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -24.73 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.95 -67.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 65' ' ' SER . 1.7 pm0 -48.48 -42.4 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 6.6 mmt180 -118.14 141.5 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.47 -13.85 12.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -86.69 -9.06 56.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.0 31.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.45 65.62 72.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.586 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 -25.87 11.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.586 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 p90 -93.45 -39.13 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 78' ' ' VAL . 48.0 t0 -75.84 -36.2 59.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER 39.42 55.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 20.48 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 72' ' ' HIS . 41.6 t0 -152.17 60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 p 48.31 31.42 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.029 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -132.52 -46.25 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -19.15 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -10.42 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.82 -38.03 74.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CD1' ' CD ' ' A' ' 69' ' ' GLU . 4.1 mt -64.66 -34.51 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.0 t0 -48.7 -34.84 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -25.5 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.6 -25.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.9 t -110.68 -3.76 15.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' ASP . 17.2 pt-20 -37.13 -42.77 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.34 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' GLU . . . -69.62 -69.62 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -15.61 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.7 t0 -86.49 44.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.8 t 159.92 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.42 91.34 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 36.6 t30 -39.99 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 8.0 mt-10 -82.25 49.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -137.04 -44.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -144.67 23.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -37.21 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.77 -75.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -38.92 -35.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 5.5 pt-20 -60.11 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 72.78 -57.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -110.01 -6.16 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 -29.22 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.439 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -87.18 -1.05 57.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 -43.1 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.43 -31.8 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CD ' ' CD1' ' A' ' 43' ' ' ILE . 2.4 mm-40 -107.82 -75.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 5.9 mmt180 -61.24 -174.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.07 -37.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -9.88 58.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt 44.62 36.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.05 63.77 63.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.5 p90 -78.18 -33.63 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -116.78 59.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.57 -25.77 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -45.08 -55.02 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 68.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m 64.45 24.25 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -122.91 -43.56 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -22.07 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -17.41 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.06 -32.05 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -70.02 -36.96 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.89 -29.41 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -82.0 -24.53 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.5 mm -87.96 -24.1 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 t -107.84 -4.47 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.28 -30.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -19.75 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . . . -73.68 -59.86 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -6.46 38.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -90.06 26.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t 176.57 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' SER . . . 137.6 96.82 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -44.08 -26.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 54' ' ' GLY . 6.8 mt-10 -87.8 34.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.9 p -121.78 -38.22 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 1.3 mt-10 -160.23 26.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.23 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 2.6 m-20 70.23 -61.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' GLY . 1.8 tp60 -58.53 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 50' ' ' ALA . 2.9 mt-10 -55.74 -22.79 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 10.4 tp10 -43.66 -42.48 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 1.1 pt? -114.86 -11.8 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.443 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -82.69 -46.94 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 -3.87 33.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 64' ' ' LEU . 5.6 p -66.54 -33.58 64.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' HG2' ' CG1' ' A' ' 68' ' ' VAL . 26.2 mm-40 -100.5 -73.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -70.73 -178.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.91 31.13 0.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -116.1 -8.49 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.589 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.88 31.78 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.51 65.77 72.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.97 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -84.86 -40.24 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 5.6 t0 -74.83 -35.1 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.5 OUTLIER 39.27 36.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.38 -54.01 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 18.5 m-20 -69.82 63.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.4 p -179.39 -39.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 16.0 mm -57.03 -18.29 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.58 -14.34 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -61.23 -33.02 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' THR . 7.6 mt -79.7 -31.28 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -48.56 -35.69 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -25.78 42.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.89 -25.02 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 t -109.96 -1.76 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -43.08 -29.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -53.76 -28.51 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.22 -66.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -13.93 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -86.15 42.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 162.94 -28.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 155.13 -72.34 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.4 t30 151.7 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -87.32 15.39 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -0.27 21.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.3 tt0 -123.75 -55.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 33.4 83.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -164.74 -87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -43.96 87.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.2 pt-20 -60.0 -148.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 69.2 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -103.25 -8.74 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -20.34 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.65 -12.42 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -16.29 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.3 t -88.77 -73.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' CD ' ' CD1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -60.78 -68.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -70.3 -163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.27 -34.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.464 ' CE1' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -73.13 -8.4 55.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 109.57 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER 39.96 32.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 72' ' ' HIS . . . -131.18 68.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.02 -35.92 2.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.3 p90 -82.07 -33.01 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -112.73 57.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.04 -12.95 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -43.98 95.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.62 68.91 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD13 ' CE1' ' A' ' 72' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -86.24 50.42 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.7 mt -135.36 -47.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 4.2 p30 -57.6 -34.01 68.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -16.15 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.68 -41.43 81.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 4.1 mt -67.93 -32.54 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -34.2 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -24.66 36.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -85.81 -24.91 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.2 t -110.26 1.47 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.86 -26.01 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -66.78 -24.13 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.52 -65.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' SER . 1.2 pt-20 -52.85 -26.69 15.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.43 -29.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' GLU . 51.1 m -116.7 -59.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.34 39.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.494 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 44.0 t30 79.83 -54.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.65 66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.05 -43.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -147.61 25.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.81 -118.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 69.37 -61.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -59.37 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 1.7 pt-20 -45.31 -27.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 6.1 tt0 -38.89 -45.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.07 -2.75 9.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -31.58 14.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.469 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.8 10.12 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -22.76 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.09 -25.36 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.62 -71.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.359 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' ' NE2' ' A' ' 72' ' ' HIS . 11.1 mmp_? -52.29 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.16 -36.55 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.498 ' NE2' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -72.15 -8.28 53.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.601 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' HIS . 2.1 mt 40.17 40.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.09 65.31 73.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.614 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.93 -30.77 6.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.614 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.8 p90 -86.56 -31.31 21.3 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.56 48.48 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 79' ' ' ASP . 14.1 m -60.61 -40.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' VAL . 7.7 t0 38.79 53.19 1.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.8 m-20 64.32 49.31 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 1.2 mp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -121.65 47.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.38 -46.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -31.73 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.37 12.3 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.0 tp -75.59 -34.01 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.1 mp -57.28 -27.47 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -53.0 -47.57 68.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' CD ' ' N ' ' A' ' 45' ' ' ARG . 1.5 mpt_? -77.83 2.01 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -111.67 -20.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.8 t -118.65 -4.49 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -38.22 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -48.28 -23.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.18 -68.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -19.69 29.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -57.33 -22.16 40.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -124.17 -50.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 158.9 42.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 43.2 t-20 68.98 -66.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLU . 25.5 mt-10 -38.65 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.08 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER 168.34 51.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.51 58.24 2.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.16 -39.19 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.12 -58.62 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 13.9 pt-20 -56.94 -22.62 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.77 -25.27 64.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.62 3.9 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.2 -49.81 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -74.07 -12.64 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 5.82 43.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.19 -21.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.72 -74.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NH1' ' NE2' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -44.2 132.71 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.74 -24.22 4.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.495 ' NE2' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -75.26 -12.43 60.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.615 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.5 OUTLIER 40.04 38.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.18 67.18 80.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.98 -35.72 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.4 p90 -82.77 -36.42 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -112.33 60.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 26.7 m -62.26 -14.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -20.02 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -35.43 67.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.476 HD21 ' CE1' ' A' ' 72' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER 74.85 -58.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.928 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.435 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 61.2 mt -40.24 -29.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' SER . 4.6 m-20 -57.33 -71.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' CA ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.59 -12.54 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -60.57 -32.52 71.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -76.17 -30.5 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -48.5 -35.64 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -25.49 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -84.96 -24.8 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.1 t -107.9 -2.37 19.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -47.6 -26.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -62.72 -16.37 57.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -74.82 -51.46 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -81.73 7.28 12.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -106.31 25.05 11.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -174.69 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 146.22 82.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 9.5 m-80 -39.19 -33.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' OE2' ' CZ2' ' A' ' 76' ' ' TRP . 3.4 mt-10 -83.79 66.28 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 -44.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 tp10 -132.2 5.82 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 67.95 -59.89 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 3.8 t0 82.02 -58.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' GLU . 3.2 tp60 177.75 -33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 15.7 pt-20 -38.28 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 61' ' ' GLN . 3.1 pt-20 -37.43 -42.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.67 4.92 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.69 -27.16 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -84.0 5.16 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.5 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.73 -36.75 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' ' CA ' ' A' ' 41' ' ' ARG . 2.4 tp10 -101.83 -71.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 8.5 mmt85 -57.66 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -166.99 -39.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -67.82 -17.77 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.583 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 49.07 23.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.72 60.66 37.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.638 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.03 1.01 8.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.638 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 25.6 p90 -99.38 -36.82 9.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 25.6 t0 -89.44 -29.2 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 5.1 t 40.24 73.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -116.0 36.87 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -175.42 47.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 HD13 ' CG1' ' A' ' 78' ' ' VAL . 2.6 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -43.22 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.87 -26.52 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.09 -43.9 66.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.05 20.32 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -40.79 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.5 mp -51.79 -22.39 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -54.38 -50.6 67.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.62 3.24 16.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -110.81 -21.16 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -117.35 -4.98 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 12.8 pt-20 -41.63 -35.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -48.34 -23.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -58.9 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -75.39 -28.55 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.231 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -40.25 -30.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 51' ' ' GLU . 10.6 t -102.53 -65.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.1 38.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.635 ' ND2' ' CZ3' ' A' ' 76' ' ' TRP . 54.5 t30 77.81 -54.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.94 69.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -158.8 -43.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -142.11 21.76 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.07 61.08 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' GLU . 33.7 m-20 -134.02 -46.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.88 -44.66 84.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 2.3 pt-20 -63.64 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 19.5 tt0 69.27 -59.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.0 pp -99.02 -10.72 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.96 -20.71 13.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' ARG . . . -83.32 -11.81 57.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.58 -46.99 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.68 -38.49 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -90.51 -70.55 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 14.0 mmt180 -85.57 -150.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.43 -35.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.48 -15.97 63.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.565 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 46.29 42.28 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.51 64.31 68.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.635 ' CZ3' ' ND2' ' A' ' 55' ' ' ASN . 32.6 p90 -90.47 -42.66 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -73.23 -45.89 53.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER 40.98 45.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.54 -60.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.31 67.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -31.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.89 -35.07 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.59 -56.13 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 25.54 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.04 -49.99 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -61.84 -14.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.06 -41.81 93.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -17.95 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.81 -25.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 t -109.89 -4.56 15.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 1.2 pp20? -39.63 -32.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.12 -22.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.35 -70.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -48.86 -26.1 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 51' ' ' GLU . 13.1 t -124.98 -66.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -173.45 30.83 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' SER . 45.0 t30 76.44 -55.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.7 67.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -155.0 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.77 21.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -58.14 -112.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 68.73 -65.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -50.68 -33.76 23.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 64' ' ' LEU . 3.5 pt-20 -61.24 -147.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 6.0 tt0 69.34 -59.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 pp -102.91 -10.98 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.03 -19.94 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.38 -2.89 58.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.89 -44.04 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.84 -44.95 96.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 43' ' ' ILE . 1.8 mm-40 -93.06 -75.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -68.87 -169.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.08 -37.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -11.01 60.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.786 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.14 42.29 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.58 63.74 65.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.98 -22.95 14.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.0 p90 -96.13 -29.83 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 16.7 t0 -110.47 37.47 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' ASP . 31.5 m -40.18 -50.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' VAL . 0.8 OUTLIER 38.61 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 13.9 t0 -174.27 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER 80.82 -60.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -60.23 -26.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -50.71 49.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 7.63 26.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.31 -36.61 63.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 mt -67.32 -32.03 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.94 -34.97 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.66 -24.92 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.33 -24.85 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.7 t -109.97 1.96 19.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -26.19 4.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -23.14 62.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -72.8 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -49.42 -27.58 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -15.87 26.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.08 -43.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE3' ' A' ' 76' ' ' TRP . . . 156.69 -24.56 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 4.0 t30 80.15 -53.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' CH2' ' A' ' 76' ' ' TRP . 36.3 mt-10 -66.96 67.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -153.56 -46.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 4.24 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 71.79 -53.11 1.28 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 2.8 m-20 80.06 -60.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 2.0 tp-100 176.07 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 6.9 pt-20 -66.58 -9.6 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -39.83 -44.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.14 -6.42 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -88.57 -17.38 30.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.18 4.71 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.29 -14.5 14.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.91 -23.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -117.8 -56.56 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 14.0 mmp_? -76.76 -175.22 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.03 -39.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -69.82 -12.13 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.72 41.79 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.28 63.15 59.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.616 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.91 -31.63 6.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.9 p90 -84.77 -29.79 25.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 108.023 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -115.59 48.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 80' ' ' ASP . 30.6 m -40.61 -47.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER 38.2 31.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 1.2 t70 179.81 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 5.5 t 173.91 -54.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.3 mt -44.72 -26.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -65.6 -60.04 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -87.59 11.76 14.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.4 tm? -77.06 -48.06 18.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ILE . 3.6 mt -64.38 -34.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.6 t0 -49.27 -34.37 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -24.74 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -85.55 -25.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 1.9 t -115.46 5.82 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' HG2' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.56 -22.27 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' CB ' ' OE1' ' A' ' 62' ' ' GLU . . . -77.45 -65.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -15.63 12.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -86.48 44.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.7 t 159.02 -25.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 130.42 97.53 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.481 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 8.3 t30 -38.88 -38.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.95 54.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -139.77 -44.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -150.99 26.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -36.29 -91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 40.35 49.74 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 178.47 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' OE1' ' CB ' ' A' ' 50' ' ' ALA . 3.9 pt-20 -105.45 -17.4 14.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.45 -20.6 56.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 pp -113.33 -27.68 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -51.74 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -55.41 -20.63 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -80.98 3.03 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 t -126.0 -43.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.93 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 4.7 mmp_? -38.79 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.84 -51.49 3.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.82 46.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.58 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt 49.98 38.65 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.9 64.38 66.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.97 -32.65 5.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.623 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 38.6 p90 -82.44 -25.65 33.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.76 57.06 1.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 80' ' ' ASP . 5.8 m -76.01 -42.46 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t0 69.73 -61.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -168.3 110.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 83.06 -51.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.041 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.88 -22.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 94.3 m-20 -77.02 -18.18 58.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.27 3.21 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -69.66 -41.42 75.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.8 mt -60.69 -34.76 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.06 -33.93 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 -24.43 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.08 -25.5 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -110.19 0.09 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.35 -25.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.06 -14.64 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . . . -85.56 -62.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -22.46 59.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -19.41 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.2 t -140.31 -49.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -169.36 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 3.7 t30 154.68 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -82.82 67.2 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.22 -42.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 49' ' ' ARG . 2.6 pp20? -133.17 14.2 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -52.59 -105.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER 63.78 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' GLY . 6.0 tp60 -38.72 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ASP . 5.9 pt-20 -59.36 -149.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 76.93 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.268 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -117.94 -6.43 10.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -44.21 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -69.08 -7.97 40.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.523 ' CD2' ' CD2' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -94.46 -52.45 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 69' ' ' GLU . 9.8 p -69.09 -52.53 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE2' ' CD ' ' A' ' 70' ' ' ARG . 5.1 tt0 -67.2 -65.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CD ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -76.77 -85.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.54 -47.52 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -74.62 -3.49 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.611 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 38.85 37.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -131.27 65.82 77.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.594 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.421 1.748 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.594 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.1 p90 -93.17 -40.83 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 79' ' ' ASP . 12.0 t0 -73.62 -42.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 10.3 m 39.49 31.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -87.13 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -68.05 72.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -78.46 55.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.6 mm -124.95 -44.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -29.21 68.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -99.18 -15.81 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tp -48.85 -27.38 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.9 mt -59.63 -33.16 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t70 -53.12 -34.31 56.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -81.62 -18.8 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.67 -23.97 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.8 t -111.46 -4.81 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -36.12 -34.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -44.55 -25.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -76.45 -71.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.92 -19.91 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.39 -21.13 63.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -124.27 -0.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . 112.01 -4.85 27.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' ALA . 12.2 m-80 76.93 -54.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.16 69.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.78 -42.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 59' ' ' GLY . 4.2 mt-10 -145.14 21.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.91 -97.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER 66.93 -71.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -37.55 -40.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 5.5 pt-20 -59.95 -148.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 7.5 tt0 70.0 -58.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.52 -10.01 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.4 -26.3 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.6 1.25 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.2 -31.56 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.44 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.6 p -84.36 -30.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 68' ' ' VAL . 35.8 mm-40 -106.23 -60.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CD ' ' NE2' ' A' ' 72' ' ' HIS . 4.0 mmt85 -78.16 -175.12 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -163.56 -39.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.483 ' NE2' ' CD ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -67.84 -17.27 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.783 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER 48.03 23.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.62 60.87 39.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.649 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 1.81 7.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.649 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 21.2 p90 -97.93 -30.22 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 14.9 t0 -96.75 -30.88 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 1.9 m 39.99 37.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.18 34.22 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 16.8 t0 -172.12 78.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.0 p -96.67 8.98 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.27 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' CB ' ' HB3' ' A' ' 69' ' ' GLU . 1.7 m-20 -56.37 -18.37 10.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 -18.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -53.96 -40.33 66.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 mt -58.6 -35.52 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t0 -49.78 -35.07 21.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -23.98 39.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CG1' HD11 ' A' ' 42' ' ' LEU . 4.4 mm -86.4 -25.24 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.5 t -111.62 0.47 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -43.54 -26.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -57.46 -16.63 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.72 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -26.28 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.91 -32.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 m -108.47 -67.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 177.73 36.51 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 43.8 t30 81.2 -52.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.91 69.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -157.29 -43.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.98 19.24 1.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.7 59.53 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.38 -45.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -71.88 -58.33 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 66' ' ' ALA . 12.4 pt-20 -60.31 -23.53 64.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -13.82 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -85.77 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -57.5 -17.77 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 7.54 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.4 t -116.82 -40.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 2.1 mm-40 -107.24 -64.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -166.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.83 -35.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -14.05 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.82 41.88 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -132.9 64.93 72.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.09 -29.55 7.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.9 p90 -88.62 -31.77 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 108.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 79' ' ' ASP . 2.4 t0 -82.73 -63.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' ALA . 38.2 t 67.35 -61.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.6 p30 46.37 29.74 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 79' ' ' ASP . 1.3 m-20 82.27 147.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' N ' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.6 m -77.1 59.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.08 -46.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -45.4 89.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -4.5 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.13 -39.4 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.9 mt -67.73 -24.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.0 t0 -53.26 -38.81 63.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -20.73 47.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.07 -25.37 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.7 t -112.01 0.12 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -43.15 -26.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -56.48 -17.31 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.58 -62.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -15.23 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.26 -17.2 61.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 t -125.61 -42.34 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 159.23 -24.97 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 30.2 t30 85.62 -47.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.598 ' CD ' ' CH2' ' A' ' 76' ' ' TRP . 16.2 mt-10 -76.96 54.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -138.34 -44.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -96.13 -30.39 13.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 32.36 69.56 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.7 -87.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -51.34 -44.91 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' LEU . 2.0 pt-20 -60.3 -148.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 69.52 -58.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -102.7 -13.18 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -20.9 13.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.35 -13.78 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -93.49 -31.83 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 28.9 t -73.29 -64.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.63 -45.88 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.9 168.97 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.0 -39.26 0.24 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -30.61 70.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER 67.04 40.98 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 78' ' ' VAL . . . -133.48 63.26 64.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.614 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.04 -32.81 5.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.614 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.8 p90 -83.16 -31.69 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -118.94 59.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 74' ' ' ALA . 18.6 m -73.08 -26.34 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -68.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 15.9 m-20 -122.88 50.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 4.8 mp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' NH1' ' A' ' 41' ' ' ARG . 47.2 m -72.69 -28.07 62.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.26 -28.07 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.24 -53.94 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' NH1' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -86.05 12.37 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.74 -31.3 66.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.6 mt -57.98 -33.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 13.3 t0 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.39 -19.78 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -91.01 -24.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 t -112.48 -1.46 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' ASP . 17.1 pt-20 -38.5 -46.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.5 -29.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -66.16 -67.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 70' ' ' ARG . 1.4 pm0 -71.53 -5.86 36.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.13 32.59 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.91 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 159.43 87.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 50.9 t30 -43.87 -26.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' OE2' ' CH2' ' A' ' 76' ' ' TRP . 33.3 mt-10 -86.13 41.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.15 -42.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -147.5 28.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.34 60.73 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' GLU . 74.9 m-20 -82.18 -31.31 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -47.22 14.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 63' ' ' GLU . 9.1 mt-10 -53.69 -18.46 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.6 tt0 -35.95 -45.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.479 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 1.2 pt? -129.38 4.49 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.477 ' HA ' ' CG2' ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.36 -14.51 21.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.85 -12.29 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.47 -38.88 7.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 64' ' ' LEU . 35.4 m -55.6 -52.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 70' ' ' ARG . 3.2 tt0 -98.18 -80.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 51' ' ' GLU . 16.6 mmt85 -53.28 -171.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -166.1 -39.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -66.72 -19.42 65.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.641 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 71' ' ' GLY . 0.3 OUTLIER 52.65 43.18 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.19 62.79 58.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.616 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.96 -25.02 12.34 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.616 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.1 p90 -93.57 -45.34 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 107.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -41.27 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.0 m 39.32 48.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.18 -64.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.19 68.2 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m 49.08 50.55 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -137.34 -47.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -13.12 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.49 -13.79 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -50.85 -27.48 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -59.89 -31.15 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 7.0 t70 -55.3 -32.29 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.17 -15.19 47.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.15 -23.14 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.5 t -107.68 -8.73 16.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 49' ' ' ARG . 12.0 pt-20 -37.7 -44.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -40.33 -28.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 55' ' ' ASN . . . -64.43 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -17.77 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' SER . 54.4 m-20 -88.48 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 163.73 -63.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.09 85.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.562 HD22 ' N ' ' A' ' 76' ' ' TRP . 14.6 p30 -63.87 -12.07 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' OE2' ' CE3' ' A' ' 76' ' ' TRP . 1.9 mt-10 -88.58 19.44 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.53 -18.29 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -107.67 -45.72 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 37.19 59.26 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.23 -79.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -47.2 8.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 64' ' ' LEU . 2.6 pt-20 -60.17 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 28.8 tp10 69.13 -58.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.8 pp -103.27 -12.48 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.54 -20.87 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.45 -11.79 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.67 -63.1 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.1 p -45.07 -38.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 44' ' ' ASP . 25.0 tt0 -90.41 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -79.56 159.59 26.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.15 -33.43 1.05 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.21 -18.88 64.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.576 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 mt 45.93 45.25 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.07 62.89 59.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.645 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.1 Cg_endo -75.02 -30.67 6.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.645 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 40.8 p90 -82.48 -37.92 24.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.47 68.84 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 31.7 m -73.6 -24.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.36 -73.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.35 85.71 7.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m -75.73 -39.43 57.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 66.2 mt -46.99 -25.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.24 -64.63 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -77.42 -0.89 27.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 1.1 tm? -70.08 -40.5 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -67.94 -31.52 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' OD2' ' NH2' ' A' ' 70' ' ' ARG . 1.6 t0 -49.31 -36.29 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.67 -24.42 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 mm -85.87 -24.99 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -109.48 -3.43 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -42.53 -30.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.39 -20.61 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.26 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -27.56 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.39 -28.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -113.55 -67.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 55' ' ' ASN . . . 173.87 37.93 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.696 ' CB ' ' CZ3' ' A' ' 76' ' ' TRP . 1.5 t-20 67.36 -57.82 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' GLY . 37.8 mt-10 -63.66 72.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -162.2 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 2.2 mp0 -148.36 24.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 60.53 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' GLU . 1.2 m-20 -114.1 -35.86 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -83.22 -52.9 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -48.71 -23.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 tt0 -36.96 -47.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.26 -0.33 8.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -33.02 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -81.43 -2.38 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -20.78 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.4 -39.56 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -102.4 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 25.1 mmt180 -83.87 -158.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.64 -36.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.565 ' CE1' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.57 -12.11 61.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' HD3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 40.45 41.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.49 65.22 74.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.603 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.95 -34.52 3.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.696 ' CZ3' ' CB ' ' A' ' 55' ' ' ASN . 32.2 p90 -83.11 -38.12 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -110.19 57.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.0 m -65.98 -11.97 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -39.25 89.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.74 70.23 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 72' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER 88.29 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -49.61 -36.93 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -54.79 -21.05 9.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -33.6 10.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 46' ' ' ILE . 2.1 tp -46.74 -62.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.3 mt -63.53 -41.22 91.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 2.1 t70 -48.29 -29.8 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -31.71 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 mm -81.27 -27.94 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -104.62 -3.88 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ASP . 8.7 pt-20 -39.07 -35.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -47.49 -24.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 55' ' ' ASN . . . -76.34 -69.55 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -59.86 -14.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.9 -9.21 43.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 m -150.59 -45.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 164.44 90.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 18.8 t30 -38.38 -31.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.602 ' CG ' ' CZ3' ' A' ' 76' ' ' TRP . 2.9 mt-10 -83.74 47.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -133.68 -43.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.0 mt-10 -149.39 32.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -34.25 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 56.92 41.87 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.05 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -36.12 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' O ' ' CG1' ' A' ' 68' ' ' VAL . 2.9 pp -127.57 2.96 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -41.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.25 0.96 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -52.16 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 4.8 p -65.82 -20.7 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG2' ' CG1' ' A' ' 68' ' ' VAL . 11.3 mm-40 -117.37 -72.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 8.7 mmt180 -71.72 -170.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.05 -39.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -23.28 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.603 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt 64.2 39.56 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.18 63.25 55.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.618 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.788 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.618 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -75.13 -33.46 61.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.07 47.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -40.23 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 40.16 57.11 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 55.04 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' LEU . 3.5 m -105.21 -21.27 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.9 mt -52.08 -54.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -18.33 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.44 -17.27 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.1 tm? -59.11 -54.41 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 46' ' ' ILE . 24.8 mt -55.99 -43.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.34 -31.52 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -32.73 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.9 mm -79.87 -27.59 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.0 t -105.6 -1.4 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -44.29 -35.94 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -51.91 -25.55 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.63 -69.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.58 -21.38 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.9 t70 -58.22 -17.8 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.0 m -138.67 -46.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 165.08 91.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.47 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 0.1 OUTLIER -41.71 -27.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' CG ' ' CH2' ' A' ' 76' ' ' TRP . 1.6 mt-10 -87.13 37.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -127.32 -40.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -152.36 25.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -39.04 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 65.14 -76.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 3.2 tp60 -47.37 -38.27 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -70.84 -29.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASP . 42.7 tt0 -49.12 -22.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 1.4 pp -121.69 -37.74 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -71.51 -47.74 53.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -75.61 -2.12 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.56 19.72 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 72.8 t -128.77 -49.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.76 -49.89 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' NH1' ' CE1' ' A' ' 72' ' ' HIS . 5.7 mmp_? -68.24 128.46 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.44 -32.41 1.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' NH1' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -71.81 -13.86 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.88 35.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 78' ' ' VAL . . . -133.34 66.01 73.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -25.79 11.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 56' ' ' GLU . 33.3 p90 -92.73 -45.66 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.432 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 2.7 t0 -71.82 -41.38 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 40.36 63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.17 -54.14 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.19 75.07 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -91.71 -24.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' O ' HD12 ' A' ' 43' ' ' ILE . 21.5 m-20 -64.45 -52.3 58.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -73.01 -13.25 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.62 -37.55 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 40' ' ' ASP . 2.1 mt -68.54 -32.24 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.8 t0 -49.17 -35.53 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -24.69 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -85.76 -24.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.6 t -110.35 -3.31 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.372 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.47 -28.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.04 -20.47 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -83.11 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -18.34 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -20.04 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -138.82 -47.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.469 ' HA2' ' CB ' ' A' ' 76' ' ' TRP . . . -170.33 -86.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.1 t30 163.6 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -76.69 71.27 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.64 -40.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -136.05 13.98 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.51 60.41 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -102.94 -51.19 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.812 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.7 tp60 -79.92 -52.07 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.3 pt-20 -60.97 -22.93 64.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -38.74 -35.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.812 HD23 ' O ' ' A' ' 61' ' ' GLN . 1.1 pt? -113.71 -31.93 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -65.43 -52.35 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -56.73 -17.93 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -77.94 -24.73 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.95 -67.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 65' ' ' SER . 1.7 pm0 -48.48 -42.4 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 6.6 mmt180 -118.14 141.5 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.47 -13.85 12.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -86.69 -9.06 56.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.0 31.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.831 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.45 65.62 72.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 -25.87 11.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 p90 -93.45 -39.13 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.831 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 48.0 t0 -75.84 -36.2 59.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -132.52 -46.25 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -19.15 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -10.42 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.82 -38.03 74.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.783 HD12 ' OE1' ' A' ' 69' ' ' GLU . 4.1 mt -64.66 -34.51 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.0 t0 -48.7 -34.84 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -25.5 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.6 -25.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.9 t -110.68 -3.76 15.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' ASP . 17.2 pt-20 -37.13 -42.77 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.34 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -69.62 -69.62 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -15.61 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.7 t0 -86.49 44.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.8 t 159.92 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.42 91.34 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 36.6 t30 -39.99 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 8.0 mt-10 -82.25 49.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -137.04 -44.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -144.67 23.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -37.21 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.77 -75.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -38.92 -35.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 64' ' ' LEU . 5.5 pt-20 -60.11 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 72.78 -57.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.4 pt? -110.01 -6.16 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -109.68 -29.22 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -87.18 -1.05 57.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 -43.1 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.577 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.4 p -71.43 -31.8 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.783 ' OE1' HD12 ' A' ' 43' ' ' ILE . 2.4 mm-40 -107.82 -75.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 5.9 mmt180 -61.24 -174.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.07 -37.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -9.88 58.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt 44.62 36.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.05 63.77 63.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.5 p90 -78.18 -33.63 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -116.78 59.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 75' ' ' PRO . 29.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -122.91 -43.56 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.91 -22.07 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -17.41 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.5 tp -52.06 -32.05 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -70.02 -36.96 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER -50.89 -29.41 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -82.0 -24.53 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.5 mm -87.96 -24.1 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 44' ' ' ASP . 3.9 t -107.84 -4.47 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.28 -30.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -19.75 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.68 -59.86 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -6.46 38.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -90.06 26.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t 176.57 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' SER . . . 137.6 96.82 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.518 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.8 t30 -44.08 -26.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 54' ' ' GLY . 6.8 mt-10 -87.8 34.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.9 p -121.78 -38.22 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 1.3 mt-10 -160.23 26.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.23 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 2.6 m-20 70.23 -61.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' GLY . 1.8 tp60 -58.53 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 50' ' ' ALA . 2.9 mt-10 -55.74 -22.79 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 10.4 tp10 -43.66 -42.48 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.632 ' O ' HG12 ' A' ' 68' ' ' VAL . 1.1 pt? -114.86 -11.8 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -82.69 -46.94 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 -3.87 33.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' HG2' ' A' ' 69' ' ' GLU . 5.6 p -66.54 -33.58 64.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.792 ' HG2' HG13 ' A' ' 68' ' ' VAL . 26.2 mm-40 -100.5 -73.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -70.73 -178.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.91 31.13 0.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -116.1 -8.49 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.589 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.88 31.78 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 65.77 72.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.677 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.97 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -84.86 -40.24 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 5.6 t0 -74.83 -35.1 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' LEU . 5.4 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 16.0 mm -57.03 -18.29 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.58 -14.34 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.23 -33.02 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 69' ' ' GLU . 7.6 mt -79.7 -31.28 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -48.56 -35.69 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -25.78 42.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.89 -25.02 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 t -109.96 -1.76 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -43.08 -29.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -53.76 -28.51 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -72.22 -66.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -13.93 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -86.15 42.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 162.94 -28.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 155.13 -72.34 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.4 t30 151.7 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -87.32 15.39 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -0.27 21.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.3 tt0 -123.75 -55.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 33.4 83.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -164.74 -87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -43.96 87.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 pt-20 -60.0 -148.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 69.2 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -103.25 -8.74 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -20.34 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.65 -12.42 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -16.29 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.3 t -88.77 -73.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.922 ' OE1' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -60.78 -68.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -70.3 -163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.27 -34.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -73.13 -8.4 55.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 109.57 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER 39.96 32.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 72' ' ' HIS . . . -131.18 68.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.02 -35.92 2.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.3 p90 -82.07 -33.01 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -112.73 57.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG22 ' OE2' ' A' ' 69' ' ' GLU . 29.7 mt -135.36 -47.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 4.2 p30 -57.6 -34.01 68.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -16.15 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.68 -41.43 81.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 4.1 mt -67.93 -32.54 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -34.2 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -24.66 36.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -85.81 -24.91 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.2 t -110.26 1.47 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.86 -26.01 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.477 ' HG3' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -66.78 -24.13 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.52 -65.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' SER . 1.2 pt-20 -52.85 -26.69 15.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.43 -29.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' GLU . 51.1 m -116.7 -59.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.34 39.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 44.0 t30 79.83 -54.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.65 66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.05 -43.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -147.61 25.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -65.81 -118.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 69.37 -61.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' GLY . 7.2 tp60 -59.37 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 1.7 pt-20 -45.31 -27.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 6.1 tt0 -38.89 -45.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.07 -2.75 9.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -31.58 14.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -87.8 10.12 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -22.76 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.09 -25.36 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -123.62 -71.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' ' NE2' ' A' ' 72' ' ' HIS . 11.1 mmp_? -52.29 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.16 -36.55 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' NE2' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -72.15 -8.28 53.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.601 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' HIS . 2.1 mt 40.17 40.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 65.31 73.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.644 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.93 -30.77 6.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.8 p90 -86.56 -31.31 21.3 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.56 48.48 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 75' ' ' PRO . 14.1 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.38 -46.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -65.66 -31.73 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.37 12.3 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.0 tp -75.59 -34.01 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -57.28 -27.47 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -53.0 -47.57 68.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 1.5 mpt_? -77.83 2.01 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -111.67 -20.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.8 t -118.65 -4.49 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -38.22 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -48.28 -23.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.656 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -80.18 -68.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -19.69 29.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -57.33 -22.16 40.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -124.17 -50.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 158.9 42.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.656 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 43.2 t-20 68.98 -66.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLU . 25.5 mt-10 -38.65 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.08 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER 168.34 51.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.51 58.24 2.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.16 -39.19 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.12 -58.62 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 13.9 pt-20 -56.94 -22.62 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.77 -25.27 64.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.62 3.9 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.2 -49.81 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -74.07 -12.64 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -89.51 5.82 43.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.19 -21.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.72 -74.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NH1' ' NE2' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -44.2 132.71 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.74 -24.22 4.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' NE2' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -75.26 -12.43 60.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.615 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.5 OUTLIER 40.04 38.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 77' ' ' ASP . . . -131.18 67.18 80.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.98 -35.72 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.4 p90 -82.77 -36.42 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 24.0 t0 -112.33 60.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 75' ' ' PRO . 26.7 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 61.2 mt -40.24 -29.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' SER . 4.6 m-20 -57.33 -71.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' CA ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.59 -12.54 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.57 -32.52 71.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -76.17 -30.5 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 47' ' ' THR . 1.8 t0 -48.5 -35.64 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -25.49 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -84.96 -24.8 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.1 t -107.9 -2.37 19.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -47.6 -26.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -62.72 -16.37 57.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -74.82 -51.46 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -81.73 7.28 12.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -106.31 25.05 11.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -174.69 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 146.22 82.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 9.5 m-80 -39.19 -33.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' OE2' ' CZ2' ' A' ' 76' ' ' TRP . 3.4 mt-10 -83.79 66.28 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 -44.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 tp10 -132.2 5.82 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 67.95 -59.89 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 3.8 t0 82.02 -58.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' GLU . 3.2 tp60 177.75 -33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.806 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 15.7 pt-20 -38.28 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG3' HD23 ' A' ' 64' ' ' LEU . 3.1 pt-20 -37.43 -42.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.681 HD23 ' HG3' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -131.67 4.92 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.69 -27.16 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.806 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.0 5.16 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -108.08 -26.5 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.73 -36.75 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' ' CA ' ' A' ' 41' ' ' ARG . 2.4 tp10 -101.83 -71.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 8.5 mmt85 -57.66 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -166.99 -39.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -67.82 -17.77 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.583 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 49.07 23.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.72 60.66 37.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.638 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.03 1.01 8.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.638 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 25.6 p90 -99.38 -36.82 9.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 25.6 t0 -89.44 -29.2 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 78' ' ' VAL . 5.1 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.87 -26.52 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -71.09 -43.9 66.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.05 20.32 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -40.79 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.5 mp -51.79 -22.39 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -54.38 -50.6 67.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.62 3.24 16.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -110.81 -21.16 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -117.35 -4.98 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 12.8 pt-20 -41.63 -35.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -48.34 -23.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -58.9 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -75.39 -28.55 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.231 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -40.25 -30.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 51' ' ' GLU . 10.6 t -102.53 -65.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.1 38.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.571 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 1.5 t-20 77.81 -54.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.94 69.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -158.8 -43.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -142.11 21.76 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.07 61.08 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' GLU . 33.7 m-20 -134.02 -46.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.88 -44.66 84.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.481 ' OE2' ' ND2' ' A' ' 55' ' ' ASN . 2.3 pt-20 -63.64 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 19.5 tt0 69.27 -59.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.0 pp -99.02 -10.72 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.96 -20.71 13.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -83.32 -11.81 57.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.628 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -84.58 -46.99 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.68 -38.49 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -90.51 -70.55 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 14.0 mmt180 -85.57 -150.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.43 -35.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -15.97 63.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.565 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.628 HD21 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.29 42.28 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 64.31 68.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.607 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.6 p90 -90.47 -42.66 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -73.23 -45.89 53.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.89 -35.07 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.59 -56.13 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 25.54 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.04 -49.99 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.911 HD12 ' OE1' ' A' ' 69' ' ' GLU . 3.4 mt -61.84 -14.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.06 -41.81 93.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -17.95 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.81 -25.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 t -109.89 -4.56 15.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 1.2 pp20? -39.63 -32.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.12 -22.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -81.35 -70.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -48.86 -26.1 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 51' ' ' GLU . 13.1 t -124.98 -66.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -173.45 30.83 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.816 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 45.0 t30 76.44 -55.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.7 67.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -155.0 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.77 21.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -58.14 -112.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 68.73 -65.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -50.68 -33.76 23.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 3.5 pt-20 -61.24 -147.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 6.0 tt0 69.34 -59.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 pp -102.91 -10.98 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.431 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.03 -19.94 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.38 -2.89 58.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.89 -44.04 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 65' ' ' SER . 13.7 p -64.84 -44.95 96.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.911 ' OE1' HD12 ' A' ' 43' ' ' ILE . 1.8 mm-40 -93.06 -75.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -68.87 -169.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.08 -37.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -11.01 60.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.786 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.14 42.29 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.58 63.74 65.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.98 -22.95 14.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.0 p90 -96.13 -29.83 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 16.7 t0 -110.47 37.47 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' ASP . 31.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -60.23 -26.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -50.71 49.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 7.63 26.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.31 -36.61 63.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 mt -67.32 -32.03 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.94 -34.97 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.66 -24.92 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.33 -24.85 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.7 t -109.97 1.96 19.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -26.19 4.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -23.14 62.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -72.8 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 47' ' ' THR . 1.5 pm0 -49.42 -27.58 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -15.87 26.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.08 -43.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE3' ' A' ' 76' ' ' TRP . . . 156.69 -24.56 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.548 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 4.0 t30 80.15 -53.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' CH2' ' A' ' 76' ' ' TRP . 36.3 mt-10 -66.96 67.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -153.56 -46.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 4.24 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 71.79 -53.11 1.28 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 2.8 m-20 80.06 -60.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 2.0 tp-100 176.07 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 6.9 pt-20 -66.58 -9.6 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -39.83 -44.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.14 -6.42 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -88.57 -17.38 30.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.18 4.71 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.29 -14.5 14.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.75 HG13 ' HG2' ' A' ' 69' ' ' GLU . 12.2 p -104.91 -23.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.75 ' HG2' HG13 ' A' ' 68' ' ' VAL . 9.4 mm-40 -117.8 -56.56 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 14.0 mmp_? -76.76 -175.22 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.03 -39.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -69.82 -12.13 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.72 41.79 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.28 63.15 59.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.615 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.91 -31.63 6.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.615 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.9 p90 -84.77 -29.79 25.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 108.023 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -115.59 48.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 75' ' ' PRO . 30.6 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 5.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.3 mt -44.72 -26.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -65.6 -60.04 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -87.59 11.76 14.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.4 tm? -77.06 -48.06 18.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.6 mt -64.38 -34.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.6 t0 -49.27 -34.37 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -24.74 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -85.55 -25.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 1.9 t -115.46 5.82 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.56 -22.27 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.947 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -77.45 -65.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -15.63 12.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -86.48 44.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.7 t 159.02 -25.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 130.42 97.53 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.947 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.3 t30 -38.88 -38.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.95 54.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -139.77 -44.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -150.99 26.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -36.29 -91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 40.35 49.74 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 178.47 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' A' ' 50' ' ' ALA . 3.9 pt-20 -105.45 -17.4 14.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.45 -20.6 56.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 pp -113.33 -27.68 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -51.74 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -55.41 -20.63 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 73' ' ' LEU . 1.1 mm? -80.98 3.03 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 t -126.0 -43.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.93 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 4.7 mmp_? -38.79 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.84 -51.49 3.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.82 46.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.58 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 67' ' ' LEU . 1.3 mt 49.98 38.65 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.6 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -133.9 64.38 66.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.97 -32.65 5.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.623 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 38.6 p90 -82.44 -25.65 33.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.76 57.06 1.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 75' ' ' PRO . 5.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.88 -22.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 94.3 m-20 -77.02 -18.18 58.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.27 3.21 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.8 tm? -69.66 -41.42 75.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.8 mt -60.69 -34.76 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.06 -33.93 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 -24.43 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.08 -25.5 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -110.19 0.09 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.35 -25.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.06 -14.64 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -85.56 -62.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -22.46 59.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -19.41 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.2 t -140.31 -49.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -169.36 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.652 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t30 154.68 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -82.82 67.2 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.22 -42.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 49' ' ' ARG . 2.6 pp20? -133.17 14.2 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -52.59 -105.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER 63.78 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' GLY . 6.0 tp60 -38.72 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ASP . 5.9 pt-20 -59.36 -149.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 76.93 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.268 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -117.94 -6.43 10.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -44.21 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -69.08 -7.97 40.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.055 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -94.46 -52.45 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 69' ' ' GLU . 9.8 p -69.09 -52.53 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 68' ' ' VAL . 5.1 tt0 -67.2 -65.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CD ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -76.77 -85.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 67' ' ' LEU . . . 103.54 -47.52 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -74.62 -3.49 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.611 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.055 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 38.85 37.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -131.27 65.82 77.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.421 1.748 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.1 p90 -93.17 -40.83 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.761 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.0 t0 -73.62 -42.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 75' ' ' PRO . 10.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 39' ' ' ILE . 21.6 mm -124.95 -44.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.702 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -67.02 -29.21 68.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -99.18 -15.81 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.4 tp -48.85 -27.38 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.881 HD13 ' HG3' ' A' ' 69' ' ' GLU . 3.9 mt -59.63 -33.16 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t70 -53.12 -34.31 56.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -81.62 -18.8 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.67 -23.97 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.8 t -111.46 -4.81 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -36.12 -34.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -44.55 -25.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.758 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.45 -71.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.92 -19.91 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.39 -21.13 63.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -124.27 -0.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . 112.01 -4.85 27.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.758 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 12.2 m-80 76.93 -54.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.16 69.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.78 -42.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 59' ' ' GLY . 4.2 mt-10 -145.14 21.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.91 -97.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER 66.93 -71.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -37.55 -40.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 5.5 pt-20 -59.95 -148.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 7.5 tt0 70.0 -58.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.52 -10.01 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.454 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -107.4 -26.3 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.6 1.25 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.2 -31.56 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.806 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.6 p -84.36 -30.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.881 ' HG3' HD13 ' A' ' 43' ' ' ILE . 35.8 mm-40 -106.23 -60.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CD ' ' NE2' ' A' ' 72' ' ' HIS . 4.0 mmt85 -78.16 -175.12 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -163.56 -39.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.483 ' NE2' ' CD ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -67.84 -17.27 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.783 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER 48.03 23.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.62 60.87 39.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.649 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 1.81 7.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.649 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 21.2 p90 -97.93 -30.22 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 14.9 t0 -96.75 -30.88 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 1.9 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.0 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.27 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 69' ' ' GLU . 1.7 m-20 -56.37 -18.37 10.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 -18.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -53.96 -40.33 66.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 mt -58.6 -35.52 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t0 -49.78 -35.07 21.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -23.98 39.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -86.4 -25.24 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.5 t -111.62 0.47 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -43.54 -26.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -57.46 -16.63 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.72 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -26.28 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.91 -32.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 m -108.47 -67.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 177.73 36.51 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 43.8 t30 81.2 -52.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.91 69.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -157.29 -43.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.98 19.24 1.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.7 59.53 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.38 -45.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -71.88 -58.33 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 12.4 pt-20 -60.31 -23.53 64.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -114.41 -13.82 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -57.5 -17.77 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 7.54 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.4 t -116.82 -40.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 2.1 mm-40 -107.24 -64.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -166.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.83 -35.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -14.05 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.82 41.88 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -132.9 64.93 72.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.09 -29.55 7.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.9 p90 -88.62 -31.77 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 108.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.4 t0 -82.73 -63.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' ALA . 38.2 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.08 -46.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -45.4 89.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -4.5 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.13 -39.4 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.9 mt -67.73 -24.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.0 t0 -53.26 -38.81 63.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -20.73 47.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.07 -25.37 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.7 t -112.01 0.12 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -43.15 -26.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -56.48 -17.31 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -80.58 -62.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -15.23 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.26 -17.2 61.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 t -125.61 -42.34 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 159.23 -24.97 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.703 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 30.2 t30 85.62 -47.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.598 ' CD ' ' CH2' ' A' ' 76' ' ' TRP . 16.2 mt-10 -76.96 54.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -138.34 -44.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -96.13 -30.39 13.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 32.36 69.56 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.7 -87.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -51.34 -44.91 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.0 pt-20 -60.3 -148.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 69.52 -58.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.2 pt? -102.7 -13.18 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -20.9 13.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -80.35 -13.78 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -93.49 -31.83 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 64' ' ' LEU . 28.9 t -73.29 -64.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HG2' HD12 ' A' ' 43' ' ' ILE . 4.7 mt-10 -62.63 -45.88 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.9 168.97 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.0 -39.26 0.24 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -30.61 70.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.73 HD21 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER 67.04 40.98 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 78' ' ' VAL . . . -133.48 63.26 64.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.04 -32.81 5.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.8 p90 -83.16 -31.69 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -118.94 59.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 74' ' ' ALA . 18.6 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' NH1' ' A' ' 41' ' ' ARG . 47.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.26 -28.07 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.9 t70 -72.24 -53.94 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' NH1' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -86.05 12.37 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.5 tp -71.74 -31.3 66.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 40' ' ' ASP . 3.6 mt -57.98 -33.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 13.3 t0 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.39 -19.78 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -91.01 -24.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 t -112.48 -1.46 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' ASP . 17.1 pt-20 -38.5 -46.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.5 -29.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -66.16 -67.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 70' ' ' ARG . 1.4 pm0 -71.53 -5.86 36.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.13 32.59 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.91 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 159.43 87.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.463 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 50.9 t30 -43.87 -26.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' OE2' ' CH2' ' A' ' 76' ' ' TRP . 33.3 mt-10 -86.13 41.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.15 -42.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -147.5 28.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.34 60.73 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' GLU . 74.9 m-20 -82.18 -31.31 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.81 -47.22 14.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 9.1 mt-10 -53.69 -18.46 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.6 tt0 -35.95 -45.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.892 ' O ' HG13 ' A' ' 68' ' ' VAL . 1.2 pt? -129.38 4.49 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.36 -14.51 21.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . . . -86.85 -12.29 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 HD21 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -101.47 -38.88 7.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 64' ' ' LEU . 35.4 m -55.6 -52.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' N ' HG23 ' A' ' 68' ' ' VAL . 3.2 tt0 -98.18 -80.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 51' ' ' GLU . 16.6 mmt85 -53.28 -171.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -166.1 -39.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -19.42 65.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.641 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER 52.65 43.18 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.19 62.79 58.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.96 -25.02 12.34 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.1 p90 -93.57 -45.34 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 107.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -41.27 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.0 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -137.34 -47.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -63.64 -13.12 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.49 -13.79 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -50.85 -27.48 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -59.89 -31.15 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 47' ' ' THR . 7.0 t70 -55.3 -32.29 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.17 -15.19 47.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.15 -23.14 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.5 t -107.68 -8.73 16.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 49' ' ' ARG . 12.0 pt-20 -37.7 -44.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -40.33 -28.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' CB ' ' A' ' 55' ' ' ASN . . . -64.43 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -17.77 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' SER . 54.4 m-20 -88.48 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 163.73 -63.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.09 85.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.922 ' CB ' ' HB1' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -63.87 -12.07 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.592 ' OE2' ' CE3' ' A' ' 76' ' ' TRP . 1.9 mt-10 -88.58 19.44 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.53 -18.29 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -107.67 -45.72 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 37.19 59.26 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.23 -79.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -47.2 8.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 2.6 pt-20 -60.17 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 28.8 tp10 69.13 -58.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.8 pp -103.27 -12.48 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -105.54 -20.87 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.45 -11.79 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.67 -63.1 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 65' ' ' SER . 10.1 p -45.07 -38.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 44' ' ' ASP . 25.0 tt0 -90.41 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -79.56 159.59 26.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.15 -33.43 1.05 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -68.21 -18.88 64.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.576 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 67' ' ' LEU . 2.2 mt 45.93 45.25 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -134.07 62.89 59.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.1 Cg_endo -75.02 -30.67 6.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.71 ' HE3' HD22 ' A' ' 55' ' ' ASN . 40.8 p90 -82.48 -37.92 24.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 7.4 t70 -118.47 68.84 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 74' ' ' ALA . 31.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 66.2 mt -46.99 -25.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.24 -64.63 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -77.42 -0.89 27.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 1.1 tm? -70.08 -40.5 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -67.94 -31.52 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' OD2' ' NH2' ' A' ' 70' ' ' ARG . 1.6 t0 -49.31 -36.29 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.67 -24.42 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 mm -85.87 -24.99 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -109.48 -3.43 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -42.53 -30.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.39 -20.61 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.26 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -27.56 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.39 -28.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -113.55 -67.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 55' ' ' ASN . . . 173.87 37.93 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.696 ' CB ' ' CZ3' ' A' ' 76' ' ' TRP . 1.5 t-20 67.36 -57.82 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' GLY . 37.8 mt-10 -63.66 72.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -162.2 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 2.2 mp0 -148.36 24.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 60.53 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' GLU . 1.2 m-20 -114.1 -35.86 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -83.22 -52.9 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -48.71 -23.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 tt0 -36.96 -47.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.26 -0.33 8.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -33.02 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.43 -2.38 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -20.78 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.4 -39.56 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -102.4 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 25.1 mmt180 -83.87 -158.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.64 -36.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -12.11 61.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' C ' ' HD3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 40.45 41.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.49 65.22 74.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.95 -34.52 3.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.696 ' CZ3' ' CB ' ' A' ' 55' ' ' ASN . 32.2 p90 -83.11 -38.12 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -110.19 57.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 75' ' ' PRO . 20.0 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -49.61 -36.93 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -54.79 -21.05 9.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -33.6 10.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 46' ' ' ILE . 2.1 tp -46.74 -62.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.3 mt -63.53 -41.22 91.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 47' ' ' THR . 2.1 t70 -48.29 -29.8 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -31.71 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 46' ' ' ILE . 3.3 mm -81.27 -27.94 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ASP . 5.1 t -104.62 -3.88 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ASP . 8.7 pt-20 -39.07 -35.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -47.49 -24.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.95 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.34 -69.55 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -59.86 -14.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.9 -9.21 43.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 m -150.59 -45.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 164.44 90.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.95 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 18.8 t30 -38.38 -31.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.602 ' CG ' ' CZ3' ' A' ' 76' ' ' TRP . 2.9 mt-10 -83.74 47.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -133.68 -43.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.0 mt-10 -149.39 32.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -34.25 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 56.92 41.87 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.05 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -36.12 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.481 ' O ' HG12 ' A' ' 68' ' ' VAL . 2.9 pp -127.57 2.96 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -103.81 -41.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.25 0.96 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -52.16 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 64' ' ' LEU . 4.8 p -65.82 -20.7 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HG2' HG13 ' A' ' 68' ' ' VAL . 11.3 mm-40 -117.37 -72.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 8.7 mmt180 -71.72 -170.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.05 -39.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -23.28 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.603 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt 64.2 39.56 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.18 63.25 55.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.788 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -75.13 -33.46 61.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.07 47.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG22 ' OE1' ' A' ' 69' ' ' GLU . 13.9 mt -52.08 -54.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -18.33 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.44 -17.27 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.1 tm? -59.11 -54.41 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 42' ' ' LEU . 24.8 mt -55.99 -43.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -46.34 -31.52 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -32.73 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.9 mm -79.87 -27.59 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.0 t -105.6 -1.4 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -44.29 -35.94 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -51.91 -25.55 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.63 -69.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.58 -21.38 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.9 t70 -58.22 -17.8 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.0 m -138.67 -46.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 165.08 91.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.745 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -41.71 -27.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' CG ' ' CH2' ' A' ' 76' ' ' TRP . 1.6 mt-10 -87.13 37.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -127.32 -40.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -152.36 25.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -39.04 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 65.14 -76.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 3.2 tp60 -47.37 -38.27 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -70.84 -29.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASP . 42.7 tt0 -49.12 -22.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.4 pp -121.69 -37.74 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -71.51 -47.74 53.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -75.61 -2.12 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.56 19.72 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.8 t -128.77 -49.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -104.76 -49.89 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' NH1' ' CE1' ' A' ' 72' ' ' HIS . 5.7 mmp_? -68.24 128.46 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.44 -32.41 1.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' NH1' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -71.81 -13.86 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.88 35.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.34 66.01 73.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -25.79 11.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 56' ' ' GLU . 33.3 p90 -92.73 -45.66 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.7 t0 -71.82 -41.38 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -54.17 -34.58 60.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -91.71 -24.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' O ' HD12 ' A' ' 43' ' ' ILE . 21.5 m-20 -64.45 -52.3 58.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -73.01 -13.25 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.62 -37.55 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 40' ' ' ASP . 2.1 mt -68.54 -32.24 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.8 t0 -49.17 -35.53 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -24.69 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -85.76 -24.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.6 t -110.35 -3.31 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.372 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.47 -28.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.04 -20.47 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -83.11 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -18.34 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -20.04 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -138.82 -47.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.469 ' HA2' ' CB ' ' A' ' 76' ' ' TRP . . . -170.33 -86.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.1 t30 163.6 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -76.69 71.27 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.64 -40.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -136.05 13.98 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.51 60.41 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -102.94 -51.19 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.812 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.7 tp60 -79.92 -52.07 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.3 pt-20 -60.97 -22.93 64.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -38.74 -35.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.812 HD23 ' O ' ' A' ' 61' ' ' GLN . 1.1 pt? -113.71 -31.93 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -65.43 -52.35 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -56.73 -17.93 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -77.94 -24.73 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.95 -67.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 65' ' ' SER . 1.7 pm0 -48.48 -42.4 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 6.6 mmt180 -118.14 141.5 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.47 -13.85 12.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -86.69 -9.06 56.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.0 31.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.831 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.45 65.62 72.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 -25.87 11.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 p90 -93.45 -39.13 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.831 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 48.0 t0 -75.84 -36.2 59.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER 39.42 55.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 20.48 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 72' ' ' HIS . 41.6 t0 -152.17 60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 p 48.31 31.42 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.029 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -132.52 -46.25 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -19.15 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -10.42 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.82 -38.03 74.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.783 HD12 ' OE1' ' A' ' 69' ' ' GLU . 4.1 mt -64.66 -34.51 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.0 t0 -48.7 -34.84 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -25.5 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.6 -25.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.9 t -110.68 -3.76 15.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' ASP . 17.2 pt-20 -37.13 -42.77 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.34 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -69.62 -69.62 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -15.61 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.7 t0 -86.49 44.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.8 t 159.92 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.42 91.34 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 36.6 t30 -39.99 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 8.0 mt-10 -82.25 49.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -137.04 -44.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -144.67 23.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -37.21 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.77 -75.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -38.92 -35.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 64' ' ' LEU . 5.5 pt-20 -60.11 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 72.78 -57.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.4 pt? -110.01 -6.16 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -109.68 -29.22 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -87.18 -1.05 57.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 -43.1 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.577 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.4 p -71.43 -31.8 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.783 ' OE1' HD12 ' A' ' 43' ' ' ILE . 2.4 mm-40 -107.82 -75.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 5.9 mmt180 -61.24 -174.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.07 -37.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -9.88 58.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt 44.62 36.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.05 63.77 63.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.5 p90 -78.18 -33.63 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -116.78 59.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 75' ' ' PRO . 29.6 m -66.57 -25.77 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -45.08 -55.02 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 68.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m 64.45 24.25 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -122.91 -43.56 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.91 -22.07 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -17.41 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.5 tp -52.06 -32.05 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -70.02 -36.96 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER -50.89 -29.41 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -82.0 -24.53 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.5 mm -87.96 -24.1 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 44' ' ' ASP . 3.9 t -107.84 -4.47 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.28 -30.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -19.75 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.68 -59.86 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -6.46 38.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -90.06 26.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t 176.57 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' SER . . . 137.6 96.82 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.518 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.8 t30 -44.08 -26.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 54' ' ' GLY . 6.8 mt-10 -87.8 34.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.9 p -121.78 -38.22 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 1.3 mt-10 -160.23 26.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.23 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 2.6 m-20 70.23 -61.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' GLY . 1.8 tp60 -58.53 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 50' ' ' ALA . 2.9 mt-10 -55.74 -22.79 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 10.4 tp10 -43.66 -42.48 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.632 ' O ' HG12 ' A' ' 68' ' ' VAL . 1.1 pt? -114.86 -11.8 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -82.69 -46.94 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 -3.87 33.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' HG2' ' A' ' 69' ' ' GLU . 5.6 p -66.54 -33.58 64.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.792 ' HG2' HG13 ' A' ' 68' ' ' VAL . 26.2 mm-40 -100.5 -73.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -70.73 -178.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.91 31.13 0.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -116.1 -8.49 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.589 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.88 31.78 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 65.77 72.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.677 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.97 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -84.86 -40.24 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 5.6 t0 -74.83 -35.1 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 39.27 36.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.38 -54.01 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 18.5 m-20 -69.82 63.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.711 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' LEU . 5.4 p -179.39 -39.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 16.0 mm -57.03 -18.29 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.58 -14.34 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.23 -33.02 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 69' ' ' GLU . 7.6 mt -79.7 -31.28 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -48.56 -35.69 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -25.78 42.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.89 -25.02 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 t -109.96 -1.76 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -43.08 -29.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -53.76 -28.51 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -72.22 -66.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -13.93 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -86.15 42.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 162.94 -28.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 155.13 -72.34 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.4 t30 151.7 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -87.32 15.39 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -0.27 21.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.3 tt0 -123.75 -55.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 33.4 83.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -164.74 -87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -43.96 87.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 pt-20 -60.0 -148.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 69.2 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -103.25 -8.74 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -20.34 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.65 -12.42 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -16.29 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.3 t -88.77 -73.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.922 ' OE1' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -60.78 -68.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -70.3 -163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.27 -34.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.649 ' CE1' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -73.13 -8.4 55.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 109.57 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER 39.96 32.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 72' ' ' HIS . . . -131.18 68.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.02 -35.92 2.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.3 p90 -82.07 -33.01 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -112.73 57.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.04 -12.95 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -43.98 95.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.62 68.91 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 72' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -86.24 50.42 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG22 ' OE2' ' A' ' 69' ' ' GLU . 29.7 mt -135.36 -47.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 4.2 p30 -57.6 -34.01 68.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -16.15 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.68 -41.43 81.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -67.93 -32.54 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -34.2 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -24.66 36.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -85.81 -24.91 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.2 t -110.26 1.47 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.86 -26.01 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' HG3' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -66.78 -24.13 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.52 -65.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' SER . 1.2 pt-20 -52.85 -26.69 15.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.43 -29.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' GLU . 51.1 m -116.7 -59.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.34 39.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 44.0 t30 79.83 -54.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.65 66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.05 -43.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -147.61 25.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -65.81 -118.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 69.37 -61.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' GLY . 7.2 tp60 -59.37 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 1.7 pt-20 -45.31 -27.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 6.1 tt0 -38.89 -45.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.07 -2.75 9.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -31.58 14.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -87.8 10.12 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -22.76 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.09 -25.36 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -123.62 -71.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' ' NE2' ' A' ' 72' ' ' HIS . 11.1 mmp_? -52.29 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.16 -36.55 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.719 ' HE1' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -72.15 -8.28 53.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.601 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' HIS . 2.1 mt 40.17 40.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 65.31 73.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.644 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.93 -30.77 6.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.8 p90 -86.56 -31.31 21.3 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.56 48.48 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 75' ' ' PRO . 14.1 m -60.61 -40.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' VAL . 7.7 t0 38.79 53.19 1.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.8 m-20 64.32 49.31 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 ' HE1' ' A' ' 72' ' ' HIS . 1.2 mp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -121.65 47.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.38 -46.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -65.66 -31.73 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.37 12.3 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.0 tp -75.59 -34.01 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -57.28 -27.47 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -53.0 -47.57 68.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 1.5 mpt_? -77.83 2.01 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -111.67 -20.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.8 t -118.65 -4.49 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -38.22 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -48.28 -23.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.656 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -80.18 -68.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -19.69 29.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -57.33 -22.16 40.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -124.17 -50.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 158.9 42.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.656 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 43.2 t-20 68.98 -66.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLU . 25.5 mt-10 -38.65 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.08 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER 168.34 51.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.51 58.24 2.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.16 -39.19 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.12 -58.62 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 13.9 pt-20 -56.94 -22.62 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.77 -25.27 64.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.62 3.9 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.2 -49.81 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -74.07 -12.64 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -89.51 5.82 43.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.19 -21.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.72 -74.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NH1' ' NE2' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -44.2 132.71 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.74 -24.22 4.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.543 ' ND1' HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -75.26 -12.43 60.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.615 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.5 OUTLIER 40.04 38.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 77' ' ' ASP . . . -131.18 67.18 80.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.98 -35.72 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.4 p90 -82.77 -36.42 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 24.0 t0 -112.33 60.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 26.7 m -62.26 -14.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -20.02 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -35.43 67.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.543 HD22 ' ND1' ' A' ' 72' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER 74.85 -58.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.928 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 61.2 mt -40.24 -29.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' SER . 4.6 m-20 -57.33 -71.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' CA ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.59 -12.54 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.57 -32.52 71.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -76.17 -30.5 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 47' ' ' THR . 1.8 t0 -48.5 -35.64 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -25.49 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -84.96 -24.8 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.1 t -107.9 -2.37 19.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -47.6 -26.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -62.72 -16.37 57.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -74.82 -51.46 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -81.73 7.28 12.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -106.31 25.05 11.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -174.69 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 146.22 82.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 9.5 m-80 -39.19 -33.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' OE2' ' CZ2' ' A' ' 76' ' ' TRP . 3.4 mt-10 -83.79 66.28 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 -44.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 tp10 -132.2 5.82 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 67.95 -59.89 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 3.8 t0 82.02 -58.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' GLU . 3.2 tp60 177.75 -33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.806 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 15.7 pt-20 -38.28 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG3' HD23 ' A' ' 64' ' ' LEU . 3.1 pt-20 -37.43 -42.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.681 HD23 ' HG3' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -131.67 4.92 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.69 -27.16 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.806 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.0 5.16 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -108.08 -26.5 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.73 -36.75 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' ' CA ' ' A' ' 41' ' ' ARG . 2.4 tp10 -101.83 -71.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 8.5 mmt85 -57.66 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -166.99 -39.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -67.82 -17.77 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.583 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 49.07 23.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.72 60.66 37.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.638 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.03 1.01 8.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.638 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 25.6 p90 -99.38 -36.82 9.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 25.6 t0 -89.44 -29.2 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.755 HG22 ' CD1' ' A' ' 81' ' ' LEU . 5.1 t 40.24 73.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -116.0 36.87 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -175.42 47.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.755 ' CD1' HG22 ' A' ' 78' ' ' VAL . 2.6 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -43.22 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.87 -26.52 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -71.09 -43.9 66.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.05 20.32 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -40.79 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.5 mp -51.79 -22.39 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -54.38 -50.6 67.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.62 3.24 16.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -110.81 -21.16 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -117.35 -4.98 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 12.8 pt-20 -41.63 -35.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -48.34 -23.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -58.9 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -75.39 -28.55 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.231 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -40.25 -30.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 51' ' ' GLU . 10.6 t -102.53 -65.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.1 38.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.571 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 1.5 t-20 77.81 -54.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.94 69.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -158.8 -43.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -142.11 21.76 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.07 61.08 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' GLU . 33.7 m-20 -134.02 -46.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.88 -44.66 84.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.481 ' OE2' ' ND2' ' A' ' 55' ' ' ASN . 2.3 pt-20 -63.64 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 19.5 tt0 69.27 -59.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.0 pp -99.02 -10.72 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.96 -20.71 13.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -83.32 -11.81 57.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.628 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -84.58 -46.99 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.68 -38.49 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -90.51 -70.55 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 14.0 mmt180 -85.57 -150.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.43 -35.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.48 -15.97 63.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.565 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.628 HD21 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.29 42.28 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 64.31 68.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.607 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.6 p90 -90.47 -42.66 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -73.23 -45.89 53.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER 40.98 45.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.54 -60.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.31 67.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -31.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.89 -35.07 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.59 -56.13 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 25.54 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.04 -49.99 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.911 HD12 ' OE1' ' A' ' 69' ' ' GLU . 3.4 mt -61.84 -14.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.06 -41.81 93.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -17.95 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.81 -25.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 t -109.89 -4.56 15.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 1.2 pp20? -39.63 -32.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.12 -22.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -81.35 -70.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -48.86 -26.1 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 51' ' ' GLU . 13.1 t -124.98 -66.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -173.45 30.83 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.816 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 45.0 t30 76.44 -55.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.7 67.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -155.0 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.77 21.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -58.14 -112.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 68.73 -65.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -50.68 -33.76 23.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 3.5 pt-20 -61.24 -147.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 6.0 tt0 69.34 -59.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 pp -102.91 -10.98 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.431 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.03 -19.94 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.38 -2.89 58.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.89 -44.04 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 65' ' ' SER . 13.7 p -64.84 -44.95 96.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.911 ' OE1' HD12 ' A' ' 43' ' ' ILE . 1.8 mm-40 -93.06 -75.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -68.87 -169.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.08 -37.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -11.01 60.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.786 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.14 42.29 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.58 63.74 65.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.98 -22.95 14.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.0 p90 -96.13 -29.83 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 16.7 t0 -110.47 37.47 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 79' ' ' ASP . 31.5 m -40.18 -50.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER 38.61 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 13.9 t0 -174.27 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER 80.82 -60.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -60.23 -26.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -50.71 49.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 7.63 26.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.31 -36.61 63.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 mt -67.32 -32.03 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.94 -34.97 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.66 -24.92 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.33 -24.85 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.7 t -109.97 1.96 19.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -26.19 4.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -23.14 62.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -72.8 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 47' ' ' THR . 1.5 pm0 -49.42 -27.58 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -15.87 26.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.08 -43.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE3' ' A' ' 76' ' ' TRP . . . 156.69 -24.56 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.548 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 4.0 t30 80.15 -53.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' CH2' ' A' ' 76' ' ' TRP . 36.3 mt-10 -66.96 67.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -153.56 -46.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 4.24 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 71.79 -53.11 1.28 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 2.8 m-20 80.06 -60.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 2.0 tp-100 176.07 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 6.9 pt-20 -66.58 -9.6 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -39.83 -44.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.14 -6.42 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -88.57 -17.38 30.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.18 4.71 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.29 -14.5 14.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.75 HG13 ' HG2' ' A' ' 69' ' ' GLU . 12.2 p -104.91 -23.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.75 ' HG2' HG13 ' A' ' 68' ' ' VAL . 9.4 mm-40 -117.8 -56.56 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 14.0 mmp_? -76.76 -175.22 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.03 -39.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -69.82 -12.13 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.72 41.79 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.28 63.15 59.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.615 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.91 -31.63 6.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.615 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.9 p90 -84.77 -29.79 25.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 108.023 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -115.59 48.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 80' ' ' ASP . 30.6 m -40.61 -47.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER 38.2 31.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.474 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 1.2 t70 179.81 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 5.5 t 173.91 -54.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.3 mt -44.72 -26.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -65.6 -60.04 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -87.59 11.76 14.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.4 tm? -77.06 -48.06 18.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.6 mt -64.38 -34.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.6 t0 -49.27 -34.37 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -24.74 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -85.55 -25.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 1.9 t -115.46 5.82 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.56 -22.27 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.947 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -77.45 -65.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -15.63 12.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -86.48 44.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.7 t 159.02 -25.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 130.42 97.53 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.947 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.3 t30 -38.88 -38.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.95 54.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -139.77 -44.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -150.99 26.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -36.29 -91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 40.35 49.74 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 178.47 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' A' ' 50' ' ' ALA . 3.9 pt-20 -105.45 -17.4 14.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.45 -20.6 56.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 pp -113.33 -27.68 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -51.74 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -55.41 -20.63 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 73' ' ' LEU . 1.1 mm? -80.98 3.03 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 t -126.0 -43.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.93 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 4.7 mmp_? -38.79 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.84 -51.49 3.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.82 46.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.58 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 67' ' ' LEU . 1.3 mt 49.98 38.65 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.6 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -133.9 64.38 66.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.97 -32.65 5.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.623 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 38.6 p90 -82.44 -25.65 33.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.76 57.06 1.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 75' ' ' PRO . 5.8 m -76.01 -42.46 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t0 69.73 -61.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -168.3 110.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 83.06 -51.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.041 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.88 -22.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 94.3 m-20 -77.02 -18.18 58.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.27 3.21 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.8 tm? -69.66 -41.42 75.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.8 mt -60.69 -34.76 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.06 -33.93 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 -24.43 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.08 -25.5 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -110.19 0.09 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.35 -25.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.06 -14.64 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -85.56 -62.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -22.46 59.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -19.41 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.2 t -140.31 -49.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -169.36 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.652 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t30 154.68 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -82.82 67.2 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.22 -42.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 49' ' ' ARG . 2.6 pp20? -133.17 14.2 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -52.59 -105.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER 63.78 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' GLY . 6.0 tp60 -38.72 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ASP . 5.9 pt-20 -59.36 -149.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 76.93 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.268 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -117.94 -6.43 10.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -44.21 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -69.08 -7.97 40.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.055 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -94.46 -52.45 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 69' ' ' GLU . 9.8 p -69.09 -52.53 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 68' ' ' VAL . 5.1 tt0 -67.2 -65.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CD ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -76.77 -85.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 67' ' ' LEU . . . 103.54 -47.52 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -74.62 -3.49 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.611 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.055 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 38.85 37.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -131.27 65.82 77.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.421 1.748 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.1 p90 -93.17 -40.83 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.761 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.0 t0 -73.62 -42.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.715 ' O ' HD12 ' A' ' 81' ' ' LEU . 10.3 m 39.49 31.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -87.13 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -68.05 72.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -78.46 55.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 39' ' ' ILE . 21.6 mm -124.95 -44.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.702 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -67.02 -29.21 68.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -99.18 -15.81 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.4 tp -48.85 -27.38 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.881 HD13 ' HG3' ' A' ' 69' ' ' GLU . 3.9 mt -59.63 -33.16 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t70 -53.12 -34.31 56.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -81.62 -18.8 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.67 -23.97 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.8 t -111.46 -4.81 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -36.12 -34.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -44.55 -25.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.758 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.45 -71.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.92 -19.91 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.39 -21.13 63.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -124.27 -0.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . 112.01 -4.85 27.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.758 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 12.2 m-80 76.93 -54.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.16 69.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.78 -42.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 59' ' ' GLY . 4.2 mt-10 -145.14 21.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.91 -97.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER 66.93 -71.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -37.55 -40.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 5.5 pt-20 -59.95 -148.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 7.5 tt0 70.0 -58.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.52 -10.01 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.454 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -107.4 -26.3 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.6 1.25 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.2 -31.56 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.806 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.6 p -84.36 -30.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.881 ' HG3' HD13 ' A' ' 43' ' ' ILE . 35.8 mm-40 -106.23 -60.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CD ' ' NE2' ' A' ' 72' ' ' HIS . 4.0 mmt85 -78.16 -175.12 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -163.56 -39.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.483 ' NE2' ' CD ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -67.84 -17.27 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.783 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER 48.03 23.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.62 60.87 39.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.649 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 1.81 7.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.649 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 21.2 p90 -97.93 -30.22 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 14.9 t0 -96.75 -30.88 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 1.9 m 39.99 37.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.18 34.22 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 16.8 t0 -172.12 78.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.646 ' C ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.0 p -96.67 8.98 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.27 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 69' ' ' GLU . 1.7 m-20 -56.37 -18.37 10.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 -18.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.763 ' C ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -53.96 -40.33 66.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 mt -58.6 -35.52 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t0 -49.78 -35.07 21.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -23.98 39.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -86.4 -25.24 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.5 t -111.62 0.47 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -43.54 -26.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -57.46 -16.63 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.72 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -26.28 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.91 -32.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 m -108.47 -67.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 177.73 36.51 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 43.8 t30 81.2 -52.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.91 69.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -157.29 -43.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.98 19.24 1.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.7 59.53 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.38 -45.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -71.88 -58.33 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 12.4 pt-20 -60.31 -23.53 64.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -114.41 -13.82 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -57.5 -17.77 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 7.54 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.4 t -116.82 -40.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 2.1 mm-40 -107.24 -64.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -166.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.83 -35.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -14.05 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.82 41.88 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -132.9 64.93 72.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.09 -29.55 7.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.9 p90 -88.62 -31.77 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 108.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.4 t0 -82.73 -63.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.867 HG12 ' H ' ' A' ' 80' ' ' ASP . 38.2 t 67.35 -61.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.6 p30 46.37 29.74 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.867 ' H ' HG12 ' A' ' 78' ' ' VAL . 1.3 m-20 82.27 147.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.6 m -77.1 59.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.08 -46.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -45.4 89.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -4.5 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.13 -39.4 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.9 mt -67.73 -24.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.0 t0 -53.26 -38.81 63.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -20.73 47.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.07 -25.37 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.7 t -112.01 0.12 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -43.15 -26.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -56.48 -17.31 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -80.58 -62.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -15.23 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.26 -17.2 61.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 t -125.61 -42.34 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 159.23 -24.97 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.703 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 30.2 t30 85.62 -47.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.598 ' CD ' ' CH2' ' A' ' 76' ' ' TRP . 16.2 mt-10 -76.96 54.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -138.34 -44.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -96.13 -30.39 13.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 32.36 69.56 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.7 -87.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -51.34 -44.91 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.0 pt-20 -60.3 -148.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 69.52 -58.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.2 pt? -102.7 -13.18 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -20.9 13.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -80.35 -13.78 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -93.49 -31.83 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 64' ' ' LEU . 28.9 t -73.29 -64.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HG2' HD12 ' A' ' 43' ' ' ILE . 4.7 mt-10 -62.63 -45.88 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.9 168.97 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.0 -39.26 0.24 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -30.61 70.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.73 HD21 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER 67.04 40.98 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 78' ' ' VAL . . . -133.48 63.26 64.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.04 -32.81 5.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.8 p90 -83.16 -31.69 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -118.94 59.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 74' ' ' ALA . 18.6 m -73.08 -26.34 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -68.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 15.9 m-20 -122.88 50.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 4.8 mp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' NH1' ' A' ' 41' ' ' ARG . 47.2 m -72.69 -28.07 62.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.26 -28.07 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.9 t70 -72.24 -53.94 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' NH1' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -86.05 12.37 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.5 tp -71.74 -31.3 66.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 40' ' ' ASP . 3.6 mt -57.98 -33.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 13.3 t0 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.39 -19.78 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -91.01 -24.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 t -112.48 -1.46 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' ASP . 17.1 pt-20 -38.5 -46.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.5 -29.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -66.16 -67.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 70' ' ' ARG . 1.4 pm0 -71.53 -5.86 36.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.13 32.59 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.91 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 159.43 87.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.463 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 50.9 t30 -43.87 -26.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' OE2' ' CH2' ' A' ' 76' ' ' TRP . 33.3 mt-10 -86.13 41.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.15 -42.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -147.5 28.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.34 60.73 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' GLU . 74.9 m-20 -82.18 -31.31 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.81 -47.22 14.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 9.1 mt-10 -53.69 -18.46 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.6 tt0 -35.95 -45.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.892 ' O ' HG13 ' A' ' 68' ' ' VAL . 1.2 pt? -129.38 4.49 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.36 -14.51 21.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . . . -86.85 -12.29 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 HD21 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -101.47 -38.88 7.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 64' ' ' LEU . 35.4 m -55.6 -52.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' N ' HG23 ' A' ' 68' ' ' VAL . 3.2 tt0 -98.18 -80.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 51' ' ' GLU . 16.6 mmt85 -53.28 -171.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -166.1 -39.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -66.72 -19.42 65.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.641 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER 52.65 43.18 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.19 62.79 58.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.96 -25.02 12.34 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.1 p90 -93.57 -45.34 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 107.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -41.27 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.0 m 39.32 48.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.18 -64.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.19 68.2 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m 49.08 50.55 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -137.34 -47.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -63.64 -13.12 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.49 -13.79 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -50.85 -27.48 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -59.89 -31.15 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 47' ' ' THR . 7.0 t70 -55.3 -32.29 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.17 -15.19 47.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.15 -23.14 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.5 t -107.68 -8.73 16.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 49' ' ' ARG . 12.0 pt-20 -37.7 -44.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -40.33 -28.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' CB ' ' A' ' 55' ' ' ASN . . . -64.43 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -17.77 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' SER . 54.4 m-20 -88.48 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 163.73 -63.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.09 85.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.922 ' CB ' ' HB1' ' A' ' 50' ' ' ALA . 0.9 OUTLIER -63.87 -12.07 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' OE2' ' CE3' ' A' ' 76' ' ' TRP . 1.9 mt-10 -88.58 19.44 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.53 -18.29 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -107.67 -45.72 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 37.19 59.26 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.23 -79.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -47.2 8.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 2.6 pt-20 -60.17 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 28.8 tp10 69.13 -58.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.8 pp -103.27 -12.48 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -105.54 -20.87 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.45 -11.79 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.67 -63.1 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 65' ' ' SER . 10.1 p -45.07 -38.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 44' ' ' ASP . 25.0 tt0 -90.41 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -79.56 159.59 26.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.15 -33.43 1.05 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -68.21 -18.88 64.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.576 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 67' ' ' LEU . 2.2 mt 45.93 45.25 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -134.07 62.89 59.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.1 Cg_endo -75.02 -30.67 6.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.71 ' HE3' HD22 ' A' ' 55' ' ' ASN . 40.8 p90 -82.48 -37.92 24.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 7.4 t70 -118.47 68.84 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.027 ' HA ' HD13 ' A' ' 81' ' ' LEU . 31.7 m -73.6 -24.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.36 -73.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.35 85.71 7.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.027 HD13 ' HA ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m -75.73 -39.43 57.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 66.2 mt -46.99 -25.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.24 -64.63 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -77.42 -0.89 27.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 1.1 tm? -70.08 -40.5 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -67.94 -31.52 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' OD2' ' NH2' ' A' ' 70' ' ' ARG . 1.6 t0 -49.31 -36.29 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.67 -24.42 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 mm -85.87 -24.99 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -109.48 -3.43 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -42.53 -30.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.39 -20.61 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.26 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -27.56 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.39 -28.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -113.55 -67.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 55' ' ' ASN . . . 173.87 37.93 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.696 ' CB ' ' CZ3' ' A' ' 76' ' ' TRP . 1.5 t-20 67.36 -57.82 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' GLY . 37.8 mt-10 -63.66 72.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -162.2 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 2.2 mp0 -148.36 24.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 60.53 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' GLU . 1.2 m-20 -114.1 -35.86 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -83.22 -52.9 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -48.71 -23.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 tt0 -36.96 -47.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.26 -0.33 8.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -33.02 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.43 -2.38 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -20.78 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.4 -39.56 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -102.4 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 25.1 mmt180 -83.87 -158.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.64 -36.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.57 -12.11 61.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' C ' ' HD3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 40.45 41.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.49 65.22 74.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.95 -34.52 3.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.696 ' CZ3' ' CB ' ' A' ' 55' ' ' ASN . 32.2 p90 -83.11 -38.12 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -110.19 57.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 75' ' ' PRO . 20.0 m -65.98 -11.97 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -39.25 89.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.74 70.23 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.627 HD11 ' CE1' ' A' ' 72' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER 88.29 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -49.61 -36.93 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -54.79 -21.05 9.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -33.6 10.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 46' ' ' ILE . 2.1 tp -46.74 -62.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.3 mt -63.53 -41.22 91.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 47' ' ' THR . 2.1 t70 -48.29 -29.8 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -31.71 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 46' ' ' ILE . 3.3 mm -81.27 -27.94 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ASP . 5.1 t -104.62 -3.88 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ASP . 8.7 pt-20 -39.07 -35.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -47.49 -24.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.95 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.34 -69.55 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -59.86 -14.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.9 -9.21 43.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 m -150.59 -45.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 164.44 90.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.95 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 18.8 t30 -38.38 -31.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.602 ' CG ' ' CZ3' ' A' ' 76' ' ' TRP . 2.9 mt-10 -83.74 47.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -133.68 -43.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.0 mt-10 -149.39 32.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -34.25 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 56.92 41.87 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.05 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -36.12 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.481 ' O ' HG12 ' A' ' 68' ' ' VAL . 2.9 pp -127.57 2.96 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -103.81 -41.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.25 0.96 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -52.16 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 64' ' ' LEU . 4.8 p -65.82 -20.7 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HG2' HG13 ' A' ' 68' ' ' VAL . 11.3 mm-40 -117.37 -72.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 8.7 mmt180 -71.72 -170.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.05 -39.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -23.28 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.603 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt 64.2 39.56 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.18 63.25 55.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.788 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -75.13 -33.46 61.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.07 47.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -40.23 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 40.16 57.11 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 55.04 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' LEU . 3.5 m -105.21 -21.27 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG22 ' OE1' ' A' ' 69' ' ' GLU . 13.9 mt -52.08 -54.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -18.33 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.44 -17.27 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.1 tm? -59.11 -54.41 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 42' ' ' LEU . 24.8 mt -55.99 -43.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -46.34 -31.52 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -32.73 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.9 mm -79.87 -27.59 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.0 t -105.6 -1.4 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -44.29 -35.94 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -51.91 -25.55 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.63 -69.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.58 -21.38 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.9 t70 -58.22 -17.8 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.0 m -138.67 -46.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 165.08 91.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.745 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -41.71 -27.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' CG ' ' CH2' ' A' ' 76' ' ' TRP . 1.6 mt-10 -87.13 37.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -127.32 -40.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -152.36 25.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -39.04 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 65.14 -76.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 3.2 tp60 -47.37 -38.27 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -70.84 -29.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASP . 42.7 tt0 -49.12 -22.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.4 pp -121.69 -37.74 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -71.51 -47.74 53.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -75.61 -2.12 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.56 19.72 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.8 t -128.77 -49.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -104.76 -49.89 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' NH1' ' CE1' ' A' ' 72' ' ' HIS . 5.7 mmp_? -68.24 128.46 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.44 -32.41 1.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' NH1' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -71.81 -13.86 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.88 35.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.34 66.01 73.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -25.79 11.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 56' ' ' GLU . 33.3 p90 -92.73 -45.66 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.7 t0 -71.82 -41.38 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 40.36 63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.17 -54.14 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.19 75.07 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.618 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -91.71 -24.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' O ' HD12 ' A' ' 43' ' ' ILE . 21.5 m-20 -64.45 -52.3 58.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -73.01 -13.25 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.62 -37.55 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 40' ' ' ASP . 2.1 mt -68.54 -32.24 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.8 t0 -49.17 -35.53 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -24.69 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -85.76 -24.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.6 t -110.35 -3.31 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.372 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.47 -28.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.04 -20.47 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -83.11 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -18.34 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -20.04 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -138.82 -47.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.469 ' HA2' ' CB ' ' A' ' 76' ' ' TRP . . . -170.33 -86.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.1 t30 163.6 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -76.69 71.27 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.64 -40.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -136.05 13.98 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.51 60.41 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -102.94 -51.19 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.812 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.7 tp60 -79.92 -52.07 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.3 pt-20 -60.97 -22.93 64.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -38.74 -35.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.812 HD23 ' O ' ' A' ' 61' ' ' GLN . 1.1 pt? -113.71 -31.93 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -65.43 -52.35 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -56.73 -17.93 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -77.94 -24.73 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.95 -67.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 65' ' ' SER . 1.7 pm0 -48.48 -42.4 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 6.6 mmt180 -118.14 141.5 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.47 -13.85 12.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -86.69 -9.06 56.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.0 31.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.831 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.45 65.62 72.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 -25.87 11.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 p90 -93.45 -39.13 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.831 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 48.0 t0 -75.84 -36.2 59.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -132.52 -46.25 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -19.15 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -10.42 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.82 -38.03 74.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.783 HD12 ' OE1' ' A' ' 69' ' ' GLU . 4.1 mt -64.66 -34.51 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.0 t0 -48.7 -34.84 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -25.5 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.6 -25.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.9 t -110.68 -3.76 15.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' ASP . 17.2 pt-20 -37.13 -42.77 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.34 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -69.62 -69.62 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -15.61 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.7 t0 -86.49 44.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.8 t 159.92 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.42 91.34 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 36.6 t30 -39.99 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 8.0 mt-10 -82.25 49.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -137.04 -44.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -144.67 23.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -37.21 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.77 -75.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -38.92 -35.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 64' ' ' LEU . 5.5 pt-20 -60.11 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 72.78 -57.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.4 pt? -110.01 -6.16 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -109.68 -29.22 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -87.18 -1.05 57.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 -43.1 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.577 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.4 p -71.43 -31.8 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.783 ' OE1' HD12 ' A' ' 43' ' ' ILE . 2.4 mm-40 -107.82 -75.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 5.9 mmt180 -61.24 -174.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.07 -37.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -9.88 58.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt 44.62 36.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.05 63.77 63.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.5 p90 -78.18 -33.63 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -116.78 59.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 75' ' ' PRO . 29.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -122.91 -43.56 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.91 -22.07 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -17.41 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.5 tp -52.06 -32.05 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -70.02 -36.96 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER -50.89 -29.41 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -82.0 -24.53 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.5 mm -87.96 -24.1 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 44' ' ' ASP . 3.9 t -107.84 -4.47 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.28 -30.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -19.75 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.68 -59.86 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -6.46 38.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -90.06 26.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t 176.57 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' SER . . . 137.6 96.82 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.518 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.8 t30 -44.08 -26.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 54' ' ' GLY . 6.8 mt-10 -87.8 34.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.9 p -121.78 -38.22 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 1.3 mt-10 -160.23 26.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.23 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 2.6 m-20 70.23 -61.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' GLY . 1.8 tp60 -58.53 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 50' ' ' ALA . 2.9 mt-10 -55.74 -22.79 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 10.4 tp10 -43.66 -42.48 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.632 ' O ' HG12 ' A' ' 68' ' ' VAL . 1.1 pt? -114.86 -11.8 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -82.69 -46.94 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 -3.87 33.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' HG2' ' A' ' 69' ' ' GLU . 5.6 p -66.54 -33.58 64.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.792 ' HG2' HG13 ' A' ' 68' ' ' VAL . 26.2 mm-40 -100.5 -73.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -70.73 -178.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.91 31.13 0.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -116.1 -8.49 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.589 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.88 31.78 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 65.77 72.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.677 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.97 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -84.86 -40.24 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 5.6 t0 -74.83 -35.1 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' LEU . 5.4 p . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 16.0 mm -57.03 -18.29 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.58 -14.34 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.23 -33.02 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 69' ' ' GLU . 7.6 mt -79.7 -31.28 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -48.56 -35.69 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -25.78 42.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.89 -25.02 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 t -109.96 -1.76 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -43.08 -29.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -53.76 -28.51 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -72.22 -66.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -13.93 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -86.15 42.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 162.94 -28.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 155.13 -72.34 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.4 t30 151.7 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -87.32 15.39 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -0.27 21.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.3 tt0 -123.75 -55.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 33.4 83.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -164.74 -87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -43.96 87.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 pt-20 -60.0 -148.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 69.2 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -103.25 -8.74 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -20.34 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.65 -12.42 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -16.29 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.3 t -88.77 -73.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.922 ' OE1' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -60.78 -68.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -70.3 -163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.27 -34.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -73.13 -8.4 55.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 109.57 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER 39.96 32.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 72' ' ' HIS . . . -131.18 68.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.02 -35.92 2.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.3 p90 -82.07 -33.01 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -112.73 57.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.604 HG22 ' OE2' ' A' ' 69' ' ' GLU . 29.7 mt -135.36 -47.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 4.2 p30 -57.6 -34.01 68.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -16.15 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.68 -41.43 81.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 4.1 mt -67.93 -32.54 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -34.2 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -24.66 36.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -85.81 -24.91 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.2 t -110.26 1.47 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.86 -26.01 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.477 ' HG3' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -66.78 -24.13 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.52 -65.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' SER . 1.2 pt-20 -52.85 -26.69 15.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.43 -29.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' GLU . 51.1 m -116.7 -59.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.34 39.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 44.0 t30 79.83 -54.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.65 66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.05 -43.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -147.61 25.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -65.81 -118.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 69.37 -61.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' GLY . 7.2 tp60 -59.37 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 1.7 pt-20 -45.31 -27.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 6.1 tt0 -38.89 -45.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.07 -2.75 9.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -31.58 14.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -87.8 10.12 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -22.76 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.09 -25.36 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -123.62 -71.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' ' NE2' ' A' ' 72' ' ' HIS . 11.1 mmp_? -52.29 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.16 -36.55 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.498 ' NE2' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -72.15 -8.28 53.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.601 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' HIS . 2.1 mt 40.17 40.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 65.31 73.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.644 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.93 -30.77 6.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.8 p90 -86.56 -31.31 21.3 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.56 48.48 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 75' ' ' PRO . 14.1 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.38 -46.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -65.66 -31.73 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.37 12.3 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.0 tp -75.59 -34.01 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -57.28 -27.47 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -53.0 -47.57 68.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 1.5 mpt_? -77.83 2.01 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -111.67 -20.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.8 t -118.65 -4.49 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -38.22 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -48.28 -23.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.656 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -80.18 -68.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -19.69 29.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -57.33 -22.16 40.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -124.17 -50.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 158.9 42.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.656 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 43.2 t-20 68.98 -66.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLU . 25.5 mt-10 -38.65 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.08 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER 168.34 51.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.51 58.24 2.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.16 -39.19 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.12 -58.62 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 13.9 pt-20 -56.94 -22.62 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.77 -25.27 64.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.62 3.9 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.2 -49.81 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -74.07 -12.64 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -89.51 5.82 43.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.19 -21.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.72 -74.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NH1' ' NE2' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -44.2 132.71 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.74 -24.22 4.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.495 ' NE2' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -75.26 -12.43 60.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.615 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.5 OUTLIER 40.04 38.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 77' ' ' ASP . . . -131.18 67.18 80.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.98 -35.72 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.4 p90 -82.77 -36.42 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 24.0 t0 -112.33 60.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 75' ' ' PRO . 26.7 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 61.2 mt -40.24 -29.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' SER . 4.6 m-20 -57.33 -71.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' CA ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.59 -12.54 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.57 -32.52 71.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -76.17 -30.5 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 47' ' ' THR . 1.8 t0 -48.5 -35.64 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -25.49 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -84.96 -24.8 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.1 t -107.9 -2.37 19.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -47.6 -26.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -62.72 -16.37 57.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -74.82 -51.46 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -81.73 7.28 12.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -106.31 25.05 11.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -174.69 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 146.22 82.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 9.5 m-80 -39.19 -33.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' OE2' ' CZ2' ' A' ' 76' ' ' TRP . 3.4 mt-10 -83.79 66.28 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 -44.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 tp10 -132.2 5.82 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 67.95 -59.89 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 3.8 t0 82.02 -58.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' GLU . 3.2 tp60 177.75 -33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.806 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 15.7 pt-20 -38.28 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG3' HD23 ' A' ' 64' ' ' LEU . 3.1 pt-20 -37.43 -42.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.681 HD23 ' HG3' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -131.67 4.92 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.69 -27.16 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.806 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.0 5.16 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -108.08 -26.5 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.73 -36.75 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' ' CA ' ' A' ' 41' ' ' ARG . 2.4 tp10 -101.83 -71.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 8.5 mmt85 -57.66 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -166.99 -39.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -67.82 -17.77 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.583 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 49.07 23.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.72 60.66 37.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.638 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.03 1.01 8.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.638 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 25.6 p90 -99.38 -36.82 9.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 25.6 t0 -89.44 -29.2 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG12 ' A' ' 78' ' ' VAL . 5.1 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.87 -26.52 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -71.09 -43.9 66.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.05 20.32 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -40.79 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.5 mp -51.79 -22.39 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -54.38 -50.6 67.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.62 3.24 16.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -110.81 -21.16 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -117.35 -4.98 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 12.8 pt-20 -41.63 -35.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -48.34 -23.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -58.9 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -75.39 -28.55 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.231 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -40.25 -30.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 51' ' ' GLU . 10.6 t -102.53 -65.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.1 38.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.635 ' ND2' ' CZ3' ' A' ' 76' ' ' TRP . 54.5 t30 77.81 -54.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.94 69.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -158.8 -43.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -142.11 21.76 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.07 61.08 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' GLU . 33.7 m-20 -134.02 -46.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.88 -44.66 84.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 2.3 pt-20 -63.64 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 19.5 tt0 69.27 -59.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.0 pp -99.02 -10.72 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.96 -20.71 13.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -83.32 -11.81 57.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.628 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -84.58 -46.99 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.68 -38.49 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -90.51 -70.55 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 14.0 mmt180 -85.57 -150.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.43 -35.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -15.97 63.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.565 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.628 HD21 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.29 42.28 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 64.31 68.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.635 ' CZ3' ' ND2' ' A' ' 55' ' ' ASN . 32.6 p90 -90.47 -42.66 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -73.23 -45.89 53.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.89 -35.07 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.59 -56.13 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 25.54 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.04 -49.99 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.911 HD12 ' OE1' ' A' ' 69' ' ' GLU . 3.4 mt -61.84 -14.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.06 -41.81 93.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -17.95 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.81 -25.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 t -109.89 -4.56 15.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 1.2 pp20? -39.63 -32.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.12 -22.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -81.35 -70.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -48.86 -26.1 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 51' ' ' GLU . 13.1 t -124.98 -66.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -173.45 30.83 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.816 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 45.0 t30 76.44 -55.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.7 67.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -155.0 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.77 21.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -58.14 -112.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 68.73 -65.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -50.68 -33.76 23.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 3.5 pt-20 -61.24 -147.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 6.0 tt0 69.34 -59.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 pp -102.91 -10.98 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.431 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.03 -19.94 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.38 -2.89 58.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.89 -44.04 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 65' ' ' SER . 13.7 p -64.84 -44.95 96.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.911 ' OE1' HD12 ' A' ' 43' ' ' ILE . 1.8 mm-40 -93.06 -75.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -68.87 -169.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.08 -37.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -11.01 60.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.786 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.14 42.29 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.58 63.74 65.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.98 -22.95 14.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.0 p90 -96.13 -29.83 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 16.7 t0 -110.47 37.47 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' ASP . 31.5 m . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -60.23 -26.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -50.71 49.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 7.63 26.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.31 -36.61 63.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 mt -67.32 -32.03 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.94 -34.97 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.66 -24.92 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.33 -24.85 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.7 t -109.97 1.96 19.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -26.19 4.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -23.14 62.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -72.8 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 47' ' ' THR . 1.5 pm0 -49.42 -27.58 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -15.87 26.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.08 -43.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE3' ' A' ' 76' ' ' TRP . . . 156.69 -24.56 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.548 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 4.0 t30 80.15 -53.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' CH2' ' A' ' 76' ' ' TRP . 36.3 mt-10 -66.96 67.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -153.56 -46.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 4.24 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 71.79 -53.11 1.28 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 2.8 m-20 80.06 -60.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 2.0 tp-100 176.07 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 6.9 pt-20 -66.58 -9.6 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -39.83 -44.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.14 -6.42 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -88.57 -17.38 30.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.18 4.71 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.29 -14.5 14.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.75 HG13 ' HG2' ' A' ' 69' ' ' GLU . 12.2 p -104.91 -23.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.75 ' HG2' HG13 ' A' ' 68' ' ' VAL . 9.4 mm-40 -117.8 -56.56 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 14.0 mmp_? -76.76 -175.22 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.03 -39.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -69.82 -12.13 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.72 41.79 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.28 63.15 59.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.615 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.91 -31.63 6.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.615 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.9 p90 -84.77 -29.79 25.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 108.023 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -115.59 48.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 75' ' ' PRO . 30.6 m . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 5.5 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.3 mt -44.72 -26.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -65.6 -60.04 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -87.59 11.76 14.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.4 tm? -77.06 -48.06 18.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.6 mt -64.38 -34.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.6 t0 -49.27 -34.37 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -24.74 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -85.55 -25.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 1.9 t -115.46 5.82 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.56 -22.27 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.947 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -77.45 -65.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -15.63 12.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -86.48 44.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.7 t 159.02 -25.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 130.42 97.53 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.947 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.3 t30 -38.88 -38.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.95 54.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -139.77 -44.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -150.99 26.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -36.29 -91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 40.35 49.74 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 178.47 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' A' ' 50' ' ' ALA . 3.9 pt-20 -105.45 -17.4 14.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.45 -20.6 56.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 pp -113.33 -27.68 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -51.74 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -55.41 -20.63 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 73' ' ' LEU . 1.1 mm? -80.98 3.03 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 t -126.0 -43.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.93 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 4.7 mmp_? -38.79 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.84 -51.49 3.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.82 46.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.58 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 67' ' ' LEU . 1.3 mt 49.98 38.65 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.6 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -133.9 64.38 66.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.97 -32.65 5.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.623 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 38.6 p90 -82.44 -25.65 33.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.76 57.06 1.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 75' ' ' PRO . 5.8 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.88 -22.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 94.3 m-20 -77.02 -18.18 58.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.27 3.21 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.8 tm? -69.66 -41.42 75.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.8 mt -60.69 -34.76 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.06 -33.93 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 -24.43 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.08 -25.5 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -110.19 0.09 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.35 -25.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.06 -14.64 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -85.56 -62.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -22.46 59.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -19.41 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.2 t -140.31 -49.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -169.36 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.652 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t30 154.68 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -82.82 67.2 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.22 -42.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 49' ' ' ARG . 2.6 pp20? -133.17 14.2 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -52.59 -105.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER 63.78 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' GLY . 6.0 tp60 -38.72 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ASP . 5.9 pt-20 -59.36 -149.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 76.93 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.268 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -117.94 -6.43 10.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -44.21 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -69.08 -7.97 40.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.055 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -94.46 -52.45 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 69' ' ' GLU . 9.8 p -69.09 -52.53 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 68' ' ' VAL . 5.1 tt0 -67.2 -65.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CD ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -76.77 -85.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 67' ' ' LEU . . . 103.54 -47.52 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -74.62 -3.49 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.611 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.055 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 38.85 37.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -131.27 65.82 77.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.421 1.748 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.1 p90 -93.17 -40.83 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.761 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.0 t0 -73.62 -42.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 75' ' ' PRO . 10.3 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 39' ' ' ILE . 21.6 mm -124.95 -44.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.702 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -67.02 -29.21 68.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -99.18 -15.81 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.4 tp -48.85 -27.38 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.881 HD13 ' HG3' ' A' ' 69' ' ' GLU . 3.9 mt -59.63 -33.16 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t70 -53.12 -34.31 56.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -81.62 -18.8 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.67 -23.97 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.8 t -111.46 -4.81 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -36.12 -34.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -44.55 -25.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.758 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.45 -71.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.92 -19.91 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.39 -21.13 63.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -124.27 -0.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . 112.01 -4.85 27.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.758 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 12.2 m-80 76.93 -54.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.16 69.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.78 -42.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 59' ' ' GLY . 4.2 mt-10 -145.14 21.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.91 -97.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER 66.93 -71.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -37.55 -40.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 5.5 pt-20 -59.95 -148.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 7.5 tt0 70.0 -58.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.52 -10.01 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.454 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -107.4 -26.3 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.6 1.25 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.2 -31.56 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.806 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.6 p -84.36 -30.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.881 ' HG3' HD13 ' A' ' 43' ' ' ILE . 35.8 mm-40 -106.23 -60.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CD ' ' NE2' ' A' ' 72' ' ' HIS . 4.0 mmt85 -78.16 -175.12 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -163.56 -39.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.483 ' NE2' ' CD ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -67.84 -17.27 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.783 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER 48.03 23.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.62 60.87 39.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.649 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 1.81 7.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.649 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 21.2 p90 -97.93 -30.22 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 14.9 t0 -96.75 -30.88 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 1.9 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.0 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.27 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 69' ' ' GLU . 1.7 m-20 -56.37 -18.37 10.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 -18.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.763 HD13 ' C ' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -53.96 -40.33 66.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 mt -58.6 -35.52 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t0 -49.78 -35.07 21.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -23.98 39.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -86.4 -25.24 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.5 t -111.62 0.47 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -43.54 -26.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -57.46 -16.63 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.72 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -26.28 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.91 -32.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 m -108.47 -67.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 177.73 36.51 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 43.8 t30 81.2 -52.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.91 69.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -157.29 -43.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.98 19.24 1.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.7 59.53 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.38 -45.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -71.88 -58.33 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 12.4 pt-20 -60.31 -23.53 64.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -114.41 -13.82 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -57.5 -17.77 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 7.54 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.4 t -116.82 -40.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 2.1 mm-40 -107.24 -64.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -166.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.83 -35.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -14.05 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.82 41.88 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -132.9 64.93 72.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.09 -29.55 7.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.9 p90 -88.62 -31.77 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 108.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.4 t0 -82.73 -63.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 74' ' ' ALA . 38.2 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.08 -46.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -45.4 89.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -4.5 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.13 -39.4 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.9 mt -67.73 -24.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.0 t0 -53.26 -38.81 63.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -20.73 47.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.07 -25.37 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.7 t -112.01 0.12 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -43.15 -26.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -56.48 -17.31 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -80.58 -62.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -15.23 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.26 -17.2 61.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 t -125.61 -42.34 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 159.23 -24.97 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.703 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 30.2 t30 85.62 -47.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.598 ' CD ' ' CH2' ' A' ' 76' ' ' TRP . 16.2 mt-10 -76.96 54.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -138.34 -44.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -96.13 -30.39 13.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 32.36 69.56 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.7 -87.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -51.34 -44.91 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.0 pt-20 -60.3 -148.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 69.52 -58.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.2 pt? -102.7 -13.18 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -20.9 13.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -80.35 -13.78 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -93.49 -31.83 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 64' ' ' LEU . 28.9 t -73.29 -64.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HG2' HD12 ' A' ' 43' ' ' ILE . 4.7 mt-10 -62.63 -45.88 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.9 168.97 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.0 -39.26 0.24 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -30.61 70.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.73 HD21 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER 67.04 40.98 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 78' ' ' VAL . . . -133.48 63.26 64.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.04 -32.81 5.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.8 p90 -83.16 -31.69 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -118.94 59.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 74' ' ' ALA . 18.6 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' NH1' ' A' ' 41' ' ' ARG . 47.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.26 -28.07 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.9 t70 -72.24 -53.94 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' NH1' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -86.05 12.37 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.5 tp -71.74 -31.3 66.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 40' ' ' ASP . 3.6 mt -57.98 -33.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 13.3 t0 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.39 -19.78 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -91.01 -24.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 t -112.48 -1.46 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' ASP . 17.1 pt-20 -38.5 -46.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.5 -29.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -66.16 -67.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 70' ' ' ARG . 1.4 pm0 -71.53 -5.86 36.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.13 32.59 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.91 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 159.43 87.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.463 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 50.9 t30 -43.87 -26.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' OE2' ' CH2' ' A' ' 76' ' ' TRP . 33.3 mt-10 -86.13 41.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.15 -42.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -147.5 28.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.34 60.73 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' GLU . 74.9 m-20 -82.18 -31.31 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -47.22 14.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 9.1 mt-10 -53.69 -18.46 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.6 tt0 -35.95 -45.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.892 ' O ' HG13 ' A' ' 68' ' ' VAL . 1.2 pt? -129.38 4.49 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.36 -14.51 21.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . . . -86.85 -12.29 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 HD21 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -101.47 -38.88 7.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 64' ' ' LEU . 35.4 m -55.6 -52.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' N ' HG23 ' A' ' 68' ' ' VAL . 3.2 tt0 -98.18 -80.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 51' ' ' GLU . 16.6 mmt85 -53.28 -171.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -166.1 -39.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -19.42 65.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.641 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER 52.65 43.18 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.19 62.79 58.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.96 -25.02 12.34 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.1 p90 -93.57 -45.34 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 107.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -41.27 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.0 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -137.34 -47.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -63.64 -13.12 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.49 -13.79 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -50.85 -27.48 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -59.89 -31.15 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 47' ' ' THR . 7.0 t70 -55.3 -32.29 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.17 -15.19 47.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.15 -23.14 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.5 t -107.68 -8.73 16.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 49' ' ' ARG . 12.0 pt-20 -37.7 -44.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -40.33 -28.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' CB ' ' A' ' 55' ' ' ASN . . . -64.43 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -17.77 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' SER . 54.4 m-20 -88.48 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 163.73 -63.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.09 85.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.922 ' CB ' ' HB1' ' A' ' 50' ' ' ALA . 14.6 p30 -63.87 -12.07 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.592 ' OE2' ' CE3' ' A' ' 76' ' ' TRP . 1.9 mt-10 -88.58 19.44 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.53 -18.29 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -107.67 -45.72 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 37.19 59.26 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.23 -79.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -47.2 8.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 2.6 pt-20 -60.17 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 28.8 tp10 69.13 -58.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.8 pp -103.27 -12.48 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -105.54 -20.87 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.45 -11.79 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.67 -63.1 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 65' ' ' SER . 10.1 p -45.07 -38.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 44' ' ' ASP . 25.0 tt0 -90.41 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -79.56 159.59 26.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.15 -33.43 1.05 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -68.21 -18.88 64.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.576 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 67' ' ' LEU . 2.2 mt 45.93 45.25 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -134.07 62.89 59.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.1 Cg_endo -75.02 -30.67 6.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.646 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 40.8 p90 -82.48 -37.92 24.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 7.4 t70 -118.47 68.84 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 74' ' ' ALA . 31.7 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 66.2 mt -46.99 -25.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.24 -64.63 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -77.42 -0.89 27.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 1.1 tm? -70.08 -40.5 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -67.94 -31.52 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' OD2' ' NH2' ' A' ' 70' ' ' ARG . 1.6 t0 -49.31 -36.29 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.67 -24.42 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 mm -85.87 -24.99 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -109.48 -3.43 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -42.53 -30.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.39 -20.61 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.26 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -27.56 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.39 -28.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -113.55 -67.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 55' ' ' ASN . . . 173.87 37.93 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.696 ' CB ' ' CZ3' ' A' ' 76' ' ' TRP . 1.5 t-20 67.36 -57.82 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' GLY . 37.8 mt-10 -63.66 72.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -162.2 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 2.2 mp0 -148.36 24.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 60.53 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' GLU . 1.2 m-20 -114.1 -35.86 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -83.22 -52.9 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -48.71 -23.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 tt0 -36.96 -47.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.26 -0.33 8.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -33.02 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.43 -2.38 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -20.78 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.4 -39.56 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -102.4 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 25.1 mmt180 -83.87 -158.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.64 -36.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.57 -12.11 61.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.603 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' C ' ' HD3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 40.45 41.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.49 65.22 74.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.95 -34.52 3.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.696 ' CZ3' ' CB ' ' A' ' 55' ' ' ASN . 32.2 p90 -83.11 -38.12 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -110.19 57.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 75' ' ' PRO . 20.0 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -49.61 -36.93 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -54.79 -21.05 9.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -33.6 10.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 46' ' ' ILE . 2.1 tp -46.74 -62.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.3 mt -63.53 -41.22 91.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 47' ' ' THR . 2.1 t70 -48.29 -29.8 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -31.71 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 46' ' ' ILE . 3.3 mm -81.27 -27.94 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ASP . 5.1 t -104.62 -3.88 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ASP . 8.7 pt-20 -39.07 -35.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -47.49 -24.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.95 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.34 -69.55 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -59.86 -14.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.9 -9.21 43.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 m -150.59 -45.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 164.44 90.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.95 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 18.8 t30 -38.38 -31.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.602 ' CG ' ' CZ3' ' A' ' 76' ' ' TRP . 2.9 mt-10 -83.74 47.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -133.68 -43.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.0 mt-10 -149.39 32.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -34.25 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 56.92 41.87 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.05 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -36.12 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.481 ' O ' HG12 ' A' ' 68' ' ' VAL . 2.9 pp -127.57 2.96 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -103.81 -41.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.25 0.96 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -52.16 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 64' ' ' LEU . 4.8 p -65.82 -20.7 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HG2' HG13 ' A' ' 68' ' ' VAL . 11.3 mm-40 -117.37 -72.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 8.7 mmt180 -71.72 -170.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.05 -39.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -23.28 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.603 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt 64.2 39.56 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.18 63.25 55.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.788 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -75.13 -33.46 61.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.07 47.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' LEU . 3.5 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG22 ' OE1' ' A' ' 69' ' ' GLU . 13.9 mt -52.08 -54.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -18.33 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.44 -17.27 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.1 tm? -59.11 -54.41 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 42' ' ' LEU . 24.8 mt -55.99 -43.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -46.34 -31.52 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -32.73 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.9 mm -79.87 -27.59 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.0 t -105.6 -1.4 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -44.29 -35.94 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -51.91 -25.55 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.63 -69.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.58 -21.38 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.9 t70 -58.22 -17.8 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.0 m -138.67 -46.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 165.08 91.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.745 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -41.71 -27.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' CG ' ' CH2' ' A' ' 76' ' ' TRP . 1.6 mt-10 -87.13 37.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -127.32 -40.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -152.36 25.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -39.04 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 65.14 -76.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 3.2 tp60 -47.37 -38.27 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -70.84 -29.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASP . 42.7 tt0 -49.12 -22.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.4 pp -121.69 -37.74 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -71.51 -47.74 53.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -75.61 -2.12 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.56 19.72 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.8 t -128.77 -49.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -104.76 -49.89 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' NH1' ' CE1' ' A' ' 72' ' ' HIS . 5.7 mmp_? -68.24 128.46 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.44 -32.41 1.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' NH1' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -71.81 -13.86 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.88 35.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.34 66.01 73.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -25.79 11.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 56' ' ' GLU . 33.3 p90 -92.73 -45.66 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.7 t0 -71.82 -41.38 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -54.17 -34.58 60.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -91.71 -24.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' O ' HD12 ' A' ' 43' ' ' ILE . 21.5 m-20 -64.45 -52.3 58.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -73.01 -13.25 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 tp -60.62 -37.55 81.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 40' ' ' ASP . 2.1 mt -68.54 -32.24 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.8 t0 -49.17 -35.53 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -80.13 -24.69 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -85.76 -24.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.6 t -110.35 -3.31 16.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.372 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.47 -28.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.04 -20.47 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -83.11 -67.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -18.34 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -20.04 50.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -138.82 -47.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.469 ' HA2' ' CB ' ' A' ' 76' ' ' TRP . . . -170.33 -86.15 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.57 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.1 t30 163.6 -29.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -76.69 71.27 3.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.64 -40.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -136.05 13.98 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.51 60.41 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -102.94 -51.19 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.337 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.812 ' O ' HD23 ' A' ' 64' ' ' LEU . 4.7 tp60 -79.92 -52.07 8.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.3 pt-20 -60.97 -22.93 64.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -38.74 -35.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.812 HD23 ' O ' ' A' ' 61' ' ' GLN . 1.1 pt? -113.71 -31.93 6.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -65.43 -52.35 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -56.73 -17.93 10.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -77.94 -24.73 48.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.95 -67.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 65' ' ' SER . 1.7 pm0 -48.48 -42.4 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 6.6 mmt180 -118.14 141.5 48.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.47 -13.85 12.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -86.69 -9.06 56.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.605 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.0 31.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.831 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.45 65.62 72.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.587 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 -25.87 11.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.448 1.762 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.587 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 p90 -93.45 -39.13 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 107.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.831 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 48.0 t0 -75.84 -36.2 59.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.7 OUTLIER 39.42 55.16 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.46 20.48 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 72' ' ' HIS . 41.6 t0 -152.17 60.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.665 ' C ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.3 p 48.31 31.42 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.029 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 46.9 mt -132.52 -46.25 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -19.15 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.52 -10.42 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.82 -38.03 74.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.783 HD12 ' OE1' ' A' ' 69' ' ' GLU . 4.1 mt -64.66 -34.51 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.0 t0 -48.7 -34.84 12.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -25.5 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.6 -25.17 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.9 t -110.68 -3.76 15.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' ASP . 17.2 pt-20 -37.13 -42.77 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.34 -29.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -69.62 -69.62 0.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -15.61 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 53' ' ' SER . 18.7 t0 -86.49 44.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.8 t 159.92 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 131.42 91.34 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.773 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 36.6 t30 -39.99 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 76' ' ' TRP . 8.0 mt-10 -82.25 49.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -137.04 -44.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -144.67 23.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -37.21 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.77 -75.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -38.92 -35.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 110.323 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' O ' HD23 ' A' ' 64' ' ' LEU . 5.5 pt-20 -60.11 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 72.78 -57.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.4 pt? -110.01 -6.16 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.7 OUTLIER -109.68 -29.22 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -87.18 -1.05 57.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.24 -43.1 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.577 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.4 p -71.43 -31.8 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.783 ' OE1' HD12 ' A' ' 43' ' ' ILE . 2.4 mm-40 -107.82 -75.67 0.63 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 5.9 mmt180 -61.24 -174.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.07 -37.6 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.45 -9.88 58.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.597 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt 44.62 36.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.05 63.77 63.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.608 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.608 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.5 p90 -78.18 -33.63 49.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -116.78 59.86 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.249 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 75' ' ' PRO . 29.6 m -66.57 -25.77 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -45.08 -55.02 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 68.88 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m 64.45 24.25 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.2 mt -122.91 -43.56 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -56.91 -22.07 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -17.41 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.5 tp -52.06 -32.05 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -70.02 -36.96 70.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.9 OUTLIER -50.89 -29.41 11.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -82.0 -24.53 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.5 mm -87.96 -24.1 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.364 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 44' ' ' ASP . 3.9 t -107.84 -4.47 18.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.28 -30.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -19.75 2.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.68 -59.86 2.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -6.46 38.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -90.06 26.82 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.8 t 176.57 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' SER . . . 137.6 96.82 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.518 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.8 t30 -44.08 -26.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 54' ' ' GLY . 6.8 mt-10 -87.8 34.83 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' GLY . 1.9 p -121.78 -38.22 2.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 1.3 mt-10 -160.23 26.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.23 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 2.6 m-20 70.23 -61.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' GLY . 1.8 tp60 -58.53 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 50' ' ' ALA . 2.9 mt-10 -55.74 -22.79 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 10.4 tp10 -43.66 -42.48 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.632 ' O ' HG12 ' A' ' 68' ' ' VAL . 1.1 pt? -114.86 -11.8 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -82.69 -46.94 12.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.44 -3.87 33.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 -51.15 2.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.792 HG13 ' HG2' ' A' ' 69' ' ' GLU . 5.6 p -66.54 -33.58 64.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.792 ' HG2' HG13 ' A' ' 68' ' ' VAL . 26.2 mm-40 -100.5 -73.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -70.73 -178.35 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.91 31.13 0.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 72' ' ' HIS . 0.2 OUTLIER -116.1 -8.49 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 109.589 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 48.88 31.78 3.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 65.77 72.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.677 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.97 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -84.86 -40.24 17.33 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.599 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 5.6 t0 -74.83 -35.1 62.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 75' ' ' PRO . 0.5 OUTLIER 39.27 36.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.38 -54.01 3.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 18.5 m-20 -69.82 63.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.711 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' LEU . 5.4 p -179.39 -39.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 0.786 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 16.0 mm -57.03 -18.29 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.86 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -112.58 -14.34 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -61.23 -33.02 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.922 HD12 ' OE1' ' A' ' 69' ' ' GLU . 7.6 mt -79.7 -31.28 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -48.56 -35.69 13.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -25.78 42.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.0 mm -84.89 -25.02 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.2 t -109.96 -1.76 17.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -43.08 -29.95 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -53.76 -28.51 34.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -72.22 -66.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -13.93 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.8 OUTLIER -86.15 42.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 162.94 -28.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.561 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 155.13 -72.34 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.4 t30 151.7 -25.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -87.32 15.39 6.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.91 -0.27 21.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 59' ' ' GLY . 1.3 tt0 -123.75 -55.8 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 33.4 83.79 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -164.74 -87.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -43.96 87.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.57 ' O ' HD23 ' A' ' 64' ' ' LEU . 3.2 pt-20 -60.0 -148.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 69.2 -59.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 62' ' ' GLU . 1.2 pt? -103.25 -8.74 20.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.03 -20.34 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.65 -12.42 53.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -16.29 21.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.3 t -88.77 -73.39 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.922 ' OE1' HD12 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -60.78 -68.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -70.3 -163.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.27 -34.16 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.649 ' CE1' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -73.13 -8.4 55.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.728 . . . . 0.0 109.57 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.4 OUTLIER 39.96 32.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 72' ' ' HIS . . . -131.18 68.25 81.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.02 -35.92 2.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.539 1.81 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.3 p90 -82.07 -33.01 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 108.005 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -112.73 57.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.04 -12.95 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -43.98 95.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -81.62 68.91 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 72' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -86.24 50.42 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.604 HG22 ' OE2' ' A' ' 69' ' ' GLU . 29.7 mt -135.36 -47.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' NH1' ' A' ' 70' ' ' ARG . 4.2 p30 -57.6 -34.01 68.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -16.15 19.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -57.68 -41.43 81.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -67.93 -32.54 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.17 -34.2 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -24.66 36.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -85.81 -24.91 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.2 t -110.26 1.47 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.86 -26.01 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' HG3' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -66.78 -24.13 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.52 -65.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 53' ' ' SER . 1.2 pt-20 -52.85 -26.69 15.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.43 -29.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 51' ' ' GLU . 51.1 m -116.7 -59.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.34 39.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 44.0 t30 79.83 -54.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -70.65 66.78 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.05 -43.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' CB ' ' HG3' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -147.61 25.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -65.81 -118.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 69.37 -61.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 59' ' ' GLY . 7.2 tp60 -59.37 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 1.7 pt-20 -45.31 -27.89 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASP . 6.1 tt0 -38.89 -45.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.07 -2.75 9.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.37 -31.58 14.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -87.8 10.12 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -22.76 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.09 -25.36 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -123.62 -71.47 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' ' NE2' ' A' ' 72' ' ' HIS . 11.1 mmp_? -52.29 -175.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.16 -36.55 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.719 ' HE1' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -72.15 -8.28 53.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.601 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' HIS . 2.1 mt 40.17 40.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.09 65.31 73.29 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.644 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.93 -30.77 6.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 34.8 p90 -86.56 -31.31 21.3 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -113.56 48.48 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 75' ' ' PRO . 14.1 m -60.61 -40.62 85.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 78' ' ' VAL . 7.7 t0 38.79 53.19 1.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.8 m-20 64.32 49.31 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.719 HD23 ' HE1' ' A' ' 72' ' ' HIS . 1.2 mp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.1 t -121.65 47.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.7 mt -130.38 -46.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.481 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -65.66 -31.73 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -105.37 12.3 31.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.0 tp -75.59 -34.01 60.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -57.28 -27.47 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.7 OUTLIER -53.0 -47.57 68.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 1.5 mpt_? -77.83 2.01 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -111.67 -20.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.8 t -118.65 -4.49 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -38.22 -31.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -48.28 -23.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.656 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -80.18 -68.02 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -19.69 29.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -57.33 -22.16 40.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 t -124.17 -50.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' GLU . . . 158.9 42.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.656 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 43.2 t-20 68.98 -66.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' GLU . 25.5 mt-10 -38.65 -34.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.434 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -37.08 -32.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.965 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER 168.34 51.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.51 58.24 2.91 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.16 -39.19 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -69.12 -58.62 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 13.9 pt-20 -56.94 -22.62 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.77 -25.27 64.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.62 3.9 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.2 -49.81 2.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -74.07 -12.64 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -89.51 5.82 43.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -110.19 -21.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -127.72 -74.9 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' NH1' ' NE2' ' A' ' 72' ' ' HIS . 0.9 OUTLIER -44.2 132.71 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -113.74 -24.22 4.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.543 ' ND1' HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -75.26 -12.43 60.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.615 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' HIS . 0.5 OUTLIER 40.04 38.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 77' ' ' ASP . . . -131.18 67.18 80.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.589 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.98 -35.72 2.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.589 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.4 p90 -82.77 -36.42 25.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.007 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 24.0 t0 -112.33 60.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' O ' ' CD2' ' A' ' 81' ' ' LEU . 26.7 m -62.26 -14.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.69 -20.02 7.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.44 -35.43 67.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.543 HD22 ' ND1' ' A' ' 72' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER 74.85 -58.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.928 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 61.2 mt -40.24 -29.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 38' ' ' SER . 4.6 m-20 -57.33 -71.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' CA ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -70.59 -12.54 61.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -60.57 -32.52 71.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' THR . 4.1 mt -76.17 -30.5 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' HA ' HG22 ' A' ' 47' ' ' THR . 1.8 t0 -48.5 -35.64 13.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.43 -25.49 38.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -84.96 -24.8 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.1 t -107.9 -2.37 19.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -47.6 -26.07 1.36 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -62.72 -16.37 57.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.504 ' CB ' ' OD1' ' A' ' 55' ' ' ASN . . . -74.82 -51.46 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -81.73 7.28 12.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -106.31 25.05 11.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 t -174.69 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 146.22 82.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' OD1' ' CB ' ' A' ' 50' ' ' ALA . 9.5 m-80 -39.19 -33.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' OE2' ' CZ2' ' A' ' 76' ' ' TRP . 3.4 mt-10 -83.79 66.28 8.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.23 -44.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 tp10 -132.2 5.82 4.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 67.95 -59.89 0.37 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 3.8 t0 82.02 -58.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' GLU . 3.2 tp60 177.75 -33.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.806 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 15.7 pt-20 -38.28 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.681 ' HG3' HD23 ' A' ' 64' ' ' LEU . 3.1 pt-20 -37.43 -42.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.681 HD23 ' HG3' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -131.67 4.92 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.69 -27.16 13.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.806 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -84.0 5.16 26.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -108.08 -26.5 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.73 -36.75 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' OE2' ' CA ' ' A' ' 41' ' ' ARG . 2.4 tp10 -101.83 -71.26 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 8.5 mmt85 -57.66 -168.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -166.99 -39.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.122 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -67.82 -17.77 64.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.583 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.2 OUTLIER 49.07 23.59 0.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.495 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.72 60.66 37.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.638 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.03 1.01 8.23 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.638 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 25.6 p90 -99.38 -36.82 9.47 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 25.6 t0 -89.44 -29.2 19.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.755 HG22 ' CD1' ' A' ' 81' ' ' LEU . 5.1 t 40.24 73.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -116.0 36.87 3.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -175.42 47.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.755 ' CD1' HG22 ' A' ' 78' ' ' VAL . 2.6 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -43.22 84.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 0.794 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.87 -26.52 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -71.09 -43.9 66.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.05 20.32 8.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 tp -80.91 -40.79 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.5 mp -51.79 -22.39 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' OD1' ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -54.38 -50.6 67.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.62 3.24 16.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -110.81 -21.16 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -117.35 -4.98 11.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 12.8 pt-20 -41.63 -35.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -48.34 -23.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.3 -58.9 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -75.39 -28.55 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.231 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -40.25 -30.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' C ' ' A' ' 51' ' ' GLU . 10.6 t -102.53 -65.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 170.1 38.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.635 ' ND2' ' CZ3' ' A' ' 76' ' ' TRP . 54.5 t30 77.81 -54.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -66.94 69.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -158.8 -43.29 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -142.11 21.76 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.07 61.08 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 58' ' ' GLU . 33.7 m-20 -134.02 -46.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -65.88 -44.66 84.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 2.3 pt-20 -63.64 -146.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 19.5 tt0 69.27 -59.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.0 pp -99.02 -10.72 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.96 -20.71 13.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -83.32 -11.81 57.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.628 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -84.58 -46.99 11.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.68 -38.49 82.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -90.51 -70.55 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 14.0 mmt180 -85.57 -150.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.43 -35.62 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' HG ' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -68.48 -15.97 63.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.565 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.628 HD21 HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER 46.29 42.28 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.51 64.31 68.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -28.16 9.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.635 ' CZ3' ' ND2' ' A' ' 55' ' ' ASN . 32.6 p90 -90.47 -42.66 10.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 0.7 OUTLIER -73.23 -45.89 53.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER 40.98 45.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.54 -60.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.31 67.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -31.07 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 109.994 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.3 mt -47.89 -35.07 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -59.59 -56.13 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 25.54 2.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.04 -49.99 6.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.911 HD12 ' OE1' ' A' ' 69' ' ' GLU . 3.4 mt -61.84 -14.91 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.06 -41.81 93.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -17.95 43.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.81 -25.99 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.3 t -109.89 -4.56 15.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 1.2 pp20? -39.63 -32.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.12 -22.84 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -81.35 -70.98 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' C ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -48.86 -26.1 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.43 ' N ' ' C ' ' A' ' 51' ' ' GLU . 13.1 t -124.98 -66.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -173.45 30.83 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.816 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 45.0 t30 76.44 -55.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.7 67.47 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -155.0 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -144.77 21.68 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -58.14 -112.38 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 68.73 -65.56 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -50.68 -33.76 23.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 3.5 pt-20 -61.24 -147.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 6.0 tt0 69.34 -59.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.1 pp -102.91 -10.98 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.431 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -107.03 -19.94 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.463 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.38 -2.89 58.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.89 -44.04 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 65' ' ' SER . 13.7 p -64.84 -44.95 96.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.911 ' OE1' HD12 ' A' ' 43' ' ' ILE . 1.8 mm-40 -93.06 -75.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -68.87 -169.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.08 -37.63 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -11.01 60.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 0.786 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 43.14 42.29 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -133.58 63.74 65.46 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.612 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.98 -22.95 14.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.612 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.0 p90 -96.13 -29.83 13.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' VAL . 16.7 t0 -110.47 37.47 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 79' ' ' ASP . 31.5 m -40.18 -50.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 78' ' ' VAL . 0.8 OUTLIER 38.61 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 13.9 t0 -174.27 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER 80.82 -60.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.3 mt -60.23 -26.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -50.71 49.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.95 7.63 26.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tp -74.31 -36.61 63.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.1 mt -67.32 -32.03 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.94 -34.97 13.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.66 -24.92 36.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.33 -24.85 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' ILE . 2.7 t -109.97 1.96 19.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -26.19 4.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -23.14 62.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -72.8 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 47' ' ' THR . 1.5 pm0 -49.42 -27.58 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.06 -15.87 26.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.08 -43.17 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE3' ' A' ' 76' ' ' TRP . . . 156.69 -24.56 0.5 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.548 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 4.0 t30 80.15 -53.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' CH2' ' A' ' 76' ' ' TRP . 36.3 mt-10 -66.96 67.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -153.56 -46.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.9 4.24 4.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.462 ' O ' ' CB ' ' A' ' 60' ' ' ASP . . . 71.79 -53.11 1.28 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' CB ' ' O ' ' A' ' 59' ' ' GLY . 2.8 m-20 80.06 -60.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 2.0 tp-100 176.07 -33.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 6.9 pt-20 -66.58 -9.6 36.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -39.83 -44.58 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.14 -6.42 10.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -88.57 -17.38 30.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 70' ' ' ARG . . . -87.18 4.71 41.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.29 -14.5 14.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.75 HG13 ' HG2' ' A' ' 69' ' ' GLU . 12.2 p -104.91 -23.28 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.75 ' HG2' HG13 ' A' ' 68' ' ' VAL . 9.4 mm-40 -117.8 -56.56 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' CA ' ' A' ' 66' ' ' ALA . 14.0 mmp_? -76.76 -175.22 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -169.03 -39.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -69.82 -12.13 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.6 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.72 41.79 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.28 63.15 59.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.615 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.91 -31.63 6.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.615 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.9 p90 -84.77 -29.79 25.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 108.023 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -115.59 48.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 80' ' ' ASP . 30.6 m -40.61 -47.03 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.163 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 78' ' ' VAL . 0.7 OUTLIER 38.2 31.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.474 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . 1.2 t70 179.81 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 81' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.422 ' C ' ' N ' ' A' ' 40' ' ' ASP . 5.5 t 173.91 -54.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.019 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.3 mt -44.72 -26.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' N ' ' C ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -65.6 -60.04 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' NH2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -87.59 11.76 14.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.4 tm? -77.06 -48.06 18.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.6 mt -64.38 -34.21 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.6 t0 -49.27 -34.37 15.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -24.74 37.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.1 mm -85.55 -25.34 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' ILE . 1.9 t -115.46 5.82 14.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -44.53 -26.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -58.56 -22.27 55.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.947 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -77.45 -65.47 0.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -15.63 12.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -86.48 44.06 1.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 2.7 t 159.02 -25.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . . . 130.42 97.53 0.78 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.947 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 8.3 t30 -38.88 -38.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.8 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.95 54.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.9 p -139.77 -44.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -150.99 26.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -36.29 -91.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.544 1.152 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 40.35 49.74 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 178.47 -37.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' A' ' 50' ' ' ALA . 3.9 pt-20 -105.45 -17.4 14.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -59.45 -20.6 56.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 pp -113.33 -27.68 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -51.74 8.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -55.41 -20.63 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 73' ' ' LEU . 1.1 mm? -80.98 3.03 24.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.6 t -126.0 -43.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -91.93 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' ALA . 4.7 mmp_? -38.79 -78.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.84 -51.49 3.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.82 46.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.58 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 HD22 ' A' ' 67' ' ' LEU . 1.3 mt 49.98 38.65 16.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.358 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.6 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -133.9 64.38 66.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.623 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.97 -32.65 5.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.623 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 38.6 p90 -82.44 -25.65 33.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -123.76 57.06 1.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 75' ' ' PRO . 5.8 m -76.01 -42.46 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 t0 69.73 -61.03 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' VAL . 1.0 OUTLIER -168.3 110.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 83.06 -51.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.041 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.0 mt -83.88 -22.63 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 94.3 m-20 -77.02 -18.18 58.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.27 3.21 12.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.637 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.8 tm? -69.66 -41.42 75.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.8 mt -60.69 -34.76 60.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -49.06 -33.93 12.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.23 -24.43 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.9 mm -85.08 -25.5 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.1 t -110.19 0.09 18.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.35 -25.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.33 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' NE ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -60.06 -14.64 17.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.652 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -85.56 -62.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -22.46 59.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -19.41 10.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.2 t -140.31 -49.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . -169.36 -82.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.652 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 3.7 t30 154.68 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -82.82 67.2 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.263 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.22 -42.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' OE1' ' NE ' ' A' ' 49' ' ' ARG . 2.6 pp20? -133.17 14.2 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -52.59 -105.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER 63.78 -78.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 59' ' ' GLY . 6.0 tp60 -38.72 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' ASP . 5.9 pt-20 -59.36 -149.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 76.93 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 110.268 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -117.94 -6.43 10.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.86 -44.21 4.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 62' ' ' GLU . . . -69.08 -7.97 40.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.055 ' CD2' HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -94.46 -52.45 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 69' ' ' GLU . 9.8 p -69.09 -52.53 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' N ' HG13 ' A' ' 68' ' ' VAL . 5.1 tt0 -67.2 -65.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CD ' ' OE2' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -76.77 -85.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' HA2' HD13 ' A' ' 67' ' ' LEU . . . 103.54 -47.52 1.09 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.583 1.177 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -74.62 -3.49 31.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.611 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.055 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 38.85 37.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.761 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -131.27 65.82 77.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.595 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.05 -26.03 11.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.421 1.748 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.595 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.1 p90 -93.17 -40.83 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.761 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 12.0 t0 -73.62 -42.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.715 ' O ' HD12 ' A' ' 81' ' ' LEU . 10.3 m 39.49 31.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' N ' ' C ' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -87.13 -65.31 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -68.05 72.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 78' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -78.46 55.06 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 39' ' ' ILE . 21.6 mm -124.95 -44.49 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.702 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -67.02 -29.21 68.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -99.18 -15.81 18.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.4 tp -48.85 -27.38 2.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.881 HD13 ' HG3' ' A' ' 69' ' ' GLU . 3.9 mt -59.63 -33.16 51.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t70 -53.12 -34.31 56.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -81.62 -18.8 43.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.67 -23.97 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.8 t -111.46 -4.81 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -36.12 -34.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -44.55 -25.89 0.31 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.758 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.45 -71.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -52.92 -19.91 2.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.39 -21.13 63.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -124.27 -0.91 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.456 ' O ' ' ND2' ' A' ' 55' ' ' ASN . . . 112.01 -4.85 27.21 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.758 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 12.2 m-80 76.93 -54.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.16 69.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.78 -42.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' ' 59' ' ' GLY . 4.2 mt-10 -145.14 21.8 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -44.91 -97.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER 66.93 -71.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -37.55 -40.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 5.5 pt-20 -59.95 -148.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 7.5 tt0 70.0 -58.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -105.52 -10.01 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.454 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -107.4 -26.3 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -90.6 1.25 56.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.2 -31.56 7.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.806 HG13 ' HG2' ' A' ' 69' ' ' GLU . 11.6 p -84.36 -30.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.881 ' HG3' HD13 ' A' ' 43' ' ' ILE . 35.8 mm-40 -106.23 -60.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' CD ' ' NE2' ' A' ' 72' ' ' HIS . 4.0 mmt85 -78.16 -175.12 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.513 ' O ' ' CD2' ' A' ' 73' ' ' LEU . . . -163.56 -39.46 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.483 ' NE2' ' CD ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -67.84 -17.27 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 0.783 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.513 ' CD2' ' O ' ' A' ' 71' ' ' GLY . 0.1 OUTLIER 48.03 23.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.489 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.62 60.87 39.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.649 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -75.05 1.81 7.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.649 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 21.2 p90 -97.93 -30.22 12.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' C ' ' CG2' ' A' ' 78' ' ' VAL . 14.9 t0 -96.75 -30.88 12.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG2' ' C ' ' A' ' 77' ' ' ASP . 1.9 m 39.99 37.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.18 34.22 3.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' O ' ' ND1' ' A' ' 72' ' ' HIS . 16.8 t0 -172.12 78.38 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.646 ' C ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' LEU . 24.0 p -96.67 8.98 42.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 0.802 . . . . 0.0 110.016 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.27 -61.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 69' ' ' GLU . 1.7 m-20 -56.37 -18.37 10.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.51 -18.97 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.763 ' C ' HD13 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -53.96 -40.33 66.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 mt -58.6 -35.52 55.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.1 t0 -49.78 -35.07 21.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.6 -23.98 39.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.4 mm -86.4 -25.24 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.477 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.5 t -111.62 0.47 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.435 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -43.54 -26.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -57.46 -16.63 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.72 -63.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -26.28 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -40.91 -32.31 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 m -108.47 -67.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.061 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 177.73 36.51 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' HB2' ' CE3' ' A' ' 76' ' ' TRP . 43.8 t30 81.2 -52.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.756 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.91 69.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -157.29 -43.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.98 19.24 1.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.7 59.53 0.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.38 -45.01 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -71.88 -58.33 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 12.4 pt-20 -60.31 -23.53 64.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -114.41 -13.82 12.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -55.65 3.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -57.5 -17.77 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.0 7.54 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.4 t -116.82 -40.18 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 40' ' ' ASP . 2.1 mm-40 -107.24 -64.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -166.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.83 -35.18 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.37 -14.05 62.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.613 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 42.82 41.88 2.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.672 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -132.9 64.93 72.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.591 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.09 -29.55 7.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 32.9 p90 -88.62 -31.77 18.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 108.035 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.4 t0 -82.73 -63.03 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.867 HG12 ' H ' ' A' ' 80' ' ' ASP . 38.2 t 67.35 -61.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 77' ' ' ASP . 1.6 p30 46.37 29.74 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.867 ' H ' HG12 ' A' ' 78' ' ' VAL . 1.3 m-20 82.27 147.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.6 m -77.1 59.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.952 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -131.08 -46.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -45.4 89.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.78 -4.5 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -68.13 -39.4 82.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' THR . 2.9 mt -67.73 -24.51 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.0 t0 -53.26 -38.81 63.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -20.73 47.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mm -88.07 -25.37 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.7 t -112.01 0.12 15.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -43.15 -26.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -56.48 -17.31 7.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.703 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -80.58 -62.22 1.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -15.23 58.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -72.26 -17.2 61.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 t -125.61 -42.34 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' ASN . . . 159.23 -24.97 0.33 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.703 ' OD1' ' HB1' ' A' ' 50' ' ' ALA . 30.2 t30 85.62 -47.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.598 ' CD ' ' CH2' ' A' ' 76' ' ' TRP . 16.2 mt-10 -76.96 54.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 t -138.34 -44.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.8 OUTLIER -96.13 -30.39 13.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 32.36 69.56 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.7 -87.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -51.34 -44.91 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.0 pt-20 -60.3 -148.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 69.52 -58.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.2 pt? -102.7 -13.18 17.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.6 -20.9 13.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.973 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -80.35 -13.78 58.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.73 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -93.49 -31.83 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 64' ' ' LEU . 28.9 t -73.29 -64.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HG2' HD12 ' A' ' 43' ' ' ILE . 4.7 mt-10 -62.63 -45.88 90.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.9 168.97 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.0 -39.26 0.24 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -30.61 70.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.744 . . . . 0.0 109.574 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.73 HD21 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER 67.04 40.98 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 78' ' ' VAL . . . -133.48 63.26 64.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.613 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -75.04 -32.81 5.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.613 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 35.8 p90 -83.16 -31.69 27.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.05 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -118.94 59.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 74' ' ' ALA . 18.6 m -73.08 -26.34 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -68.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 15.9 m-20 -122.88 50.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' ASP . 4.8 mp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.429 ' OG ' ' NH1' ' A' ' 41' ' ' ARG . 47.2 m -72.69 -28.07 62.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.26 -28.07 43.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.519 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.9 t70 -72.24 -53.94 11.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' NH1' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -86.05 12.37 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.413 ' O ' HD12 ' A' ' 42' ' ' LEU . 6.5 tp -71.74 -31.3 66.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 40' ' ' ASP . 3.6 mt -57.98 -33.12 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLU . 13.3 t0 -52.99 -35.55 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -80.39 -19.78 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -91.01 -24.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' ILE . 6.1 t -112.48 -1.46 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.415 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' ASP . 17.1 pt-20 -38.5 -46.59 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.5 -29.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 48' ' ' GLU . . . -66.16 -67.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 70' ' ' ARG . 1.4 pm0 -71.53 -5.86 36.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.13 32.59 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.91 -53.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 159.43 87.03 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.463 ' CB ' ' HG2' ' A' ' 75' ' ' PRO . 50.9 t30 -43.87 -26.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' OE2' ' CH2' ' A' ' 76' ' ' TRP . 33.3 mt-10 -86.13 41.57 0.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.15 -42.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -147.5 28.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.34 60.73 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' GLU . 74.9 m-20 -82.18 -31.31 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -47.22 14.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 66' ' ' ALA . 9.1 mt-10 -53.69 -18.46 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.6 tt0 -35.95 -45.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.892 ' O ' HG13 ' A' ' 68' ' ' VAL . 1.2 pt? -129.38 4.49 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -97.36 -14.51 21.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 62' ' ' GLU . . . -86.85 -12.29 48.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.707 HD22 HD21 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -101.47 -38.88 7.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 64' ' ' LEU . 35.4 m -55.6 -52.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' N ' HG23 ' A' ' 68' ' ' VAL . 3.2 tt0 -98.18 -80.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 51' ' ' GLU . 16.6 mmt85 -53.28 -171.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 73' ' ' LEU . . . -166.1 -39.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -66.72 -19.42 65.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.641 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 67' ' ' LEU . 0.3 OUTLIER 52.65 43.18 31.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -134.19 62.79 58.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.3 Cg_endo -74.96 -25.02 12.34 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 33.1 p90 -93.57 -45.34 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 107.963 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -41.27 66.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . 3.0 m 39.32 48.89 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.18 -64.83 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.19 68.2 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.6 m 49.08 50.55 17.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -137.34 -47.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -63.64 -13.12 39.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.49 -13.79 11.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.877 HD22 ' O ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -50.85 -27.48 7.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' THR . 1.0 OUTLIER -59.89 -31.15 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.245 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 47' ' ' THR . 7.0 t70 -55.3 -32.29 62.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.517 ' N ' ' CD ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.17 -15.19 47.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.15 -23.14 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.5 t -107.68 -8.73 16.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 49' ' ' ARG . 12.0 pt-20 -37.7 -44.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.13 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -40.33 -28.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.922 ' HB1' ' CB ' ' A' ' 55' ' ' ASN . . . -64.43 -68.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -17.77 63.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 53' ' ' SER . 54.4 m-20 -88.48 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 52' ' ' ASP . 1.7 m 163.73 -63.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.09 85.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.922 ' CB ' ' HB1' ' A' ' 50' ' ' ALA . 14.6 p30 -63.87 -12.07 33.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' OE2' ' CE3' ' A' ' 76' ' ' TRP . 1.9 mt-10 -88.58 19.44 3.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.53 -18.29 11.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 59' ' ' GLY . 0.7 OUTLIER -107.67 -45.72 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . 37.19 59.26 1.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.23 -79.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -47.2 8.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 2.6 pt-20 -60.17 -147.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 28.8 tp10 69.13 -58.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.8 pp -103.27 -12.48 17.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.497 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -105.54 -20.87 13.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.45 -11.79 59.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.67 -63.1 1.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 65' ' ' SER . 10.1 p -45.07 -38.45 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.421 1.075 . . . . 0.0 109.334 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 44' ' ' ASP . 25.0 tt0 -90.41 -80.8 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' HD3' ' NE2' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -79.56 159.59 26.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.15 -33.43 1.05 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.416 ' NE2' ' HD3' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -68.21 -18.88 64.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.576 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 67' ' ' LEU . 2.2 mt 45.93 45.25 11.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . . . -134.07 62.89 59.54 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.646 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.1 Cg_endo -75.02 -30.67 6.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.646 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 40.8 p90 -82.48 -37.92 24.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 107.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.462 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 7.4 t70 -118.47 68.84 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.027 ' HA ' HD13 ' A' ' 81' ' ' LEU . 31.7 m -73.6 -24.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.36 -73.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.35 85.71 7.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.027 HD13 ' HA ' ' A' ' 78' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 m -75.73 -39.43 57.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' HA ' ' CB ' ' A' ' 42' ' ' LEU . 66.2 mt -46.99 -25.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.24 -64.63 0.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -77.42 -0.89 27.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 39' ' ' ILE . 1.1 tm? -70.08 -40.5 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.4 mt -67.94 -31.52 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' OD2' ' NH2' ' A' ' 70' ' ' ARG . 1.6 t0 -49.31 -36.29 20.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -79.67 -24.42 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 mm -85.87 -24.99 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' ILE . 4.2 t -109.48 -3.43 17.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -42.53 -30.94 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HD2' ' CB ' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -52.39 -20.61 2.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.26 2.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -27.56 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -44.39 -28.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 t -113.55 -67.17 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 55' ' ' ASN . . . 173.87 37.93 0.04 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.696 ' CB ' ' CZ3' ' A' ' 76' ' ' TRP . 1.5 t-20 67.36 -57.82 0.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 54' ' ' GLY . 37.8 mt-10 -63.66 72.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -162.2 -42.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 2.2 mp0 -148.36 24.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 60.53 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' GLU . 1.2 m-20 -114.1 -35.86 4.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -83.22 -52.9 6.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 0.8 OUTLIER -48.71 -23.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.311 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 tt0 -36.96 -47.9 0.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -123.26 -0.33 8.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -33.02 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 62' ' ' GLU . . . -81.43 -2.38 49.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.73 -20.78 19.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.4 -39.56 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -102.4 -64.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 44' ' ' ASP . 25.1 mmt180 -83.87 -158.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.64 -36.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -69.57 -12.11 61.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.603 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' C ' ' HD3' ' A' ' 75' ' ' PRO . 0.2 OUTLIER 40.45 41.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.49 65.22 74.21 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.601 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -74.95 -34.52 3.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.77 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.696 ' CZ3' ' CB ' ' A' ' 55' ' ' ASN . 32.2 p90 -83.11 -38.12 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -110.19 57.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 75' ' ' PRO . 20.0 m -65.98 -11.97 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -39.25 89.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -87.74 70.23 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.627 HD11 ' CE1' ' A' ' 72' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER 88.29 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.973 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.0 mt -49.61 -36.93 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -54.79 -21.05 9.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -99.54 -33.6 10.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 46' ' ' ILE . 2.1 tp -46.74 -62.74 1.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 46' ' ' ILE . 5.3 mt -63.53 -41.22 91.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' HA ' HG22 ' A' ' 47' ' ' THR . 2.1 t70 -48.29 -29.8 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 -31.71 34.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 46' ' ' ILE . 3.3 mm -81.27 -27.94 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 44' ' ' ASP . 5.1 t -104.62 -3.88 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ASP . 8.7 pt-20 -39.07 -35.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -47.49 -24.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.95 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -76.34 -69.55 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -59.86 -14.57 15.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -67.9 -9.21 43.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.7 m -150.59 -45.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.461 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 164.44 90.27 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.95 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 18.8 t30 -38.38 -31.26 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.602 ' CG ' ' CZ3' ' A' ' 76' ' ' TRP . 2.9 mt-10 -83.74 47.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.4 t -133.68 -43.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 59' ' ' GLY . 3.0 mt-10 -149.39 32.51 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 58' ' ' GLU . . . -34.25 -90.93 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 56.92 41.87 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -178.24 -48.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -24.05 3.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.17 -36.12 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.481 ' O ' HG12 ' A' ' 68' ' ' VAL . 2.9 pp -127.57 2.96 6.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.419 ' HA ' HG12 ' A' ' 68' ' ' VAL . 0.5 OUTLIER -103.81 -41.71 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.25 0.96 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.94 -52.16 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 64' ' ' LEU . 4.8 p -65.82 -20.7 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' HG2' HG13 ' A' ' 68' ' ' VAL . 11.3 mm-40 -117.37 -72.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 8.7 mmt180 -71.72 -170.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.05 -39.84 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.568 1.168 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -23.28 67.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 109.603 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 mt 64.2 39.56 7.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' N ' ' HD3' ' A' ' 75' ' ' PRO . . . -135.18 63.25 55.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.617 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.2 Cg_endo -74.99 -40.98 0.73 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.788 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.617 ' CE3' ' HD2' ' A' ' 75' ' ' PRO . 31.6 p90 -75.13 -33.46 61.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.07 47.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -40.23 87.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 40.16 57.11 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 55.04 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' LEU . 3.5 m -105.21 -21.27 13.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 0.753 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG22 ' OE1' ' A' ' 69' ' ' GLU . 13.9 mt -52.08 -54.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -18.33 10.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' C ' ' CD ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -100.44 -17.27 17.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD13 ' A' ' 42' ' ' LEU . 1.1 tm? -59.11 -54.41 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' N ' HD13 ' A' ' 42' ' ' LEU . 24.8 mt -55.99 -43.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 47' ' ' THR . 0.5 OUTLIER -46.34 -31.52 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.75 -32.73 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 43' ' ' ILE . 5.9 mm -79.87 -27.59 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 43' ' ' ILE . 3.0 t -105.6 -1.4 24.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -44.29 -35.94 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -51.91 -25.55 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 55' ' ' ASN . . . -73.63 -69.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.58 -21.38 60.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' GLU . 2.9 t70 -58.22 -17.8 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.0 m -138.67 -46.21 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' ' N ' ' A' ' 56' ' ' GLU . . . 165.08 91.05 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.745 ' HA ' ' HB1' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -41.71 -27.95 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' CG ' ' CH2' ' A' ' 76' ' ' TRP . 1.6 mt-10 -87.13 37.96 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -127.32 -40.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER -152.36 25.82 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' GLN . . . -39.04 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER 65.14 -76.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 3.2 tp60 -47.37 -38.27 12.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ALA . 0.6 OUTLIER -70.84 -29.2 65.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASP . 42.7 tt0 -49.12 -22.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.4 pp -121.69 -37.74 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -71.51 -47.74 53.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . -75.61 -2.12 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -106.56 19.72 20.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 64' ' ' LEU . 72.8 t -128.77 -49.25 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' OE1' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -104.76 -49.89 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' NH1' ' CE1' ' A' ' 72' ' ' HIS . 5.7 mmp_? -68.24 128.46 36.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.44 -32.41 1.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.568 ' CE1' ' NH1' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -71.81 -13.86 61.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.611 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 44.88 35.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 77' ' ' ASP . . . -133.34 66.01 73.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.607 ' HD2' ' CE3' ' A' ' 76' ' ' TRP . 18.4 Cg_endo -75.0 -25.79 11.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.668 ' CH2' ' CG ' ' A' ' 56' ' ' GLU . 33.3 p90 -92.73 -45.66 7.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.473 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 2.7 t0 -71.82 -41.38 68.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 40.36 63.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.17 -54.14 2.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.19 75.07 4.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.618 ' C ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 stop_ save_