data_1cg7_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 1cg7 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -90.75 153.38 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.72 -29.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 41.9 t80 -66.85 -48.69 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -55.1 -37.06 66.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 61.5 m-85 -62.29 -51.74 66.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.08 -31.52 69.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.56 -53.63 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' NH2' ' A' ' 36' ' ' ARG . 1.9 m-80 -40.98 -29.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.8 mm-40 -99.11 -35.71 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.499 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -93.69 29.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -97.11 -9.32 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -111.63 -29.87 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mp -56.04 -40.63 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.38 -43.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -28.13 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -73.87 -22.72 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.69 -8.27 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -148.31 61.68 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.08 -17.93 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 43' ' ' ASN . 31.1 pt -106.41 -178.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.4 p -129.82 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 9.1 t80 -57.1 -27.5 61.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.33 -36.39 7.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -115.65 -23.01 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -50.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.86 -15.05 73.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.55 13.01 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -41.66 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 8.1 mt -51.16 -34.01 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.28 -26.3 28.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.17 -29.66 38.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.47 -38.4 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 41.5 t-105 -58.5 -52.31 66.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.35 -27.76 68.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -87.79 -1.44 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 31' ' ' PHE . 2.5 tp -78.58 0.82 24.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.446 HG21 ' CD ' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 56.64 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' HG21 ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.99 -7.1 18.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.59 -40.74 48.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 4.9 mm-40 -87.25 -29.41 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -13.97 54.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -61.61 -56.99 27.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.01 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -54.59 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.88 -25.13 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -78.94 -40.85 30.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -66.65 -13.19 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -14.98 59.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -36.14 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.08 -17.63 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -55.0 -24.67 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 -41.07 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.35 67.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -104.82 152.12 22.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.08 -29.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -66.76 -48.9 67.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -62.0 -51.55 67.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.17 -33.39 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -74.15 -55.3 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -40.24 -29.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -95.7 -37.1 10.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -93.23 29.01 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -101.68 1.75 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.76 -36.76 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -55.23 -38.3 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -42.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -55.93 -33.69 64.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -59.15 -42.31 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.4 -6.66 58.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.463 ' CB ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -147.66 62.73 7.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 0.73 8.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.2 -11.88 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 43' ' ' ASN . 2.5 pp -121.37 167.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLY . 44.3 p -132.02 -173.63 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 6.2 t80 -37.68 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.184 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -36.82 -47.93 1.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -10.76 9.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 46' ' ' ILE . 1.3 t -79.16 -45.68 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -77.24 -3.89 82.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -101.51 -7.3 22.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -116.41 -28.44 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 10.7 mt -62.99 -27.81 69.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.72 -34.21 87.82 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.582 1.177 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.53 -30.82 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.0 mmtt -78.22 -35.33 48.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -58.38 -49.82 75.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -66.02 -29.94 70.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.99 57.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -76.62 -1.85 29.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 55.78 168.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.96 -9.04 20.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.0 -45.13 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 35.0 mm-40 -85.52 -29.1 24.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -11.82 57.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.1 mt-30 -63.07 -57.48 20.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -60.07 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.43 -38.27 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -30.91 61.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -75.99 -37.92 57.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.85 63.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -19.65 60.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.64 -50.56 9.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -56.66 -19.0 14.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.3 -30.36 70.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.35 -42.5 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -59.78 -39.46 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 154.29 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -49.5 -30.19 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -30.82 71.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.2 -38.83 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 65.0 m-85 -60.79 -48.0 83.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.55 -29.94 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -75.54 -54.27 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -28.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -99.1 -32.19 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.3 m-80 -97.71 31.43 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -103.96 10.79 36.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.19 -39.83 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.8 -39.02 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -82.38 -42.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -30.64 66.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -90.97 -6.44 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -148.42 63.27 7.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 0.45 8.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -14.52 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -103.05 -172.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.437 ' N ' HG13 ' A' ' 46' ' ' ILE . 8.2 p -128.43 -168.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 9.8 t80 -67.33 -32.32 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.59 -8.53 67.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.03 -7.9 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.22 -40.12 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' HH21 ' A' ' 36' ' ' ARG . . . -67.27 -21.62 72.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -9.49 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.6 0.823 . . . . 0.0 109.296 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 16.2 mmtt -111.31 -27.07 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 11.1 mt -76.29 -25.5 54.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.62 98.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 1.4 pt-20 -69.21 -26.04 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 4.6 mttp -80.99 -37.75 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.556 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 41.3 t-105 -58.82 -52.05 67.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.77 -29.28 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.54 1.35 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' CE2' ' A' ' 31' ' ' PHE . 2.1 tp -80.46 2.49 25.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.502 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.74 169.99 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.03 -9.67 20.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.9 -43.7 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 32.9 mm-40 -85.7 -27.42 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -12.76 56.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.494 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -62.75 -57.07 23.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -52.2 -59.79 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 4.8 tt0 -60.2 -34.59 73.84 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.277 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -77.79 -36.3 50.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -74.22 -15.24 61.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -21.83 56.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.46 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -60.68 -22.73 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -70.6 -24.81 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -42.67 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -37.13 69.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.926 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.6 154.56 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.43 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 2.6 t80 -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.404 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 11.8 mmt -72.88 -42.41 63.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -54.96 -44.17 74.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -78.49 -21.59 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.14 -47.8 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 29' ' ' MET . 30.2 m120 -48.74 -23.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -39.35 8.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -93.85 28.17 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.42 -11.59 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -110.66 -27.26 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mt -55.7 -43.25 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -82.14 -42.75 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.93 -33.35 70.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ASP . 31.0 t -61.06 -35.88 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.75 -8.93 39.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.479 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -146.75 61.81 7.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.91 -17.95 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.498 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 45.9 pt -109.24 -167.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.8 p -148.07 -174.41 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.4 -33.42 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.24 -38.14 3.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.51 -14.95 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 46' ' ' ILE . 2.3 t -83.22 -37.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -67.07 -31.99 79.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 0.46 27.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -29.71 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 18.1 mt -76.29 -34.62 59.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.423 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -57.98 -46.12 92.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -63.71 -25.36 68.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.1 mmtt -80.12 -35.89 36.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.2 t-105 -60.79 -54.17 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.047 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -27.8 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.57 4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 31' ' ' PHE . 3.1 tp -82.54 5.83 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 54.52 166.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -1.88 11.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.02 -39.15 21.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 10.8 mm-40 -85.3 -29.74 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -81.81 -24.56 35.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -49.62 -57.32 12.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -75.01 -49.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -52.57 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 111.081 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.75 -37.92 69.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.64 -28.51 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -77.85 -38.79 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -15.4 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -20.0 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.84 -50.62 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.17 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -26.95 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -84.35 -48.32 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.5 -37.84 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -97.56 153.16 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -29.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.98 -43.74 91.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 mtm -65.92 -34.12 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -59.6 -46.94 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.95 -17.04 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -85.64 -48.38 8.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -40.89 -29.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -99.79 -33.83 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.245 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.9 m-80 -96.47 31.92 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 18.2 tpp180 -98.75 -6.51 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 57.9 m-20 -110.85 -25.15 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.6 mp -64.05 -38.32 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.02 -46.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -54.97 -33.03 62.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.9 t -67.0 -31.49 72.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.71 -6.55 45.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.466 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -148.19 61.96 6.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -18.93 29.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.3 pt -102.81 -168.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.2 p -129.8 -168.82 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 15.6 t80 -68.57 -38.4 80.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.69 -8.69 48.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.578 1.173 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.89 -10.97 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.98 -42.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.37 -14.83 67.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -4.01 55.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 -43.37 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' LYS . 10.0 mt -48.2 -39.02 19.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.81 -30.08 8.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.0 -28.47 60.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.722 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LEU . 5.6 mptt -78.87 -37.15 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 47.8 t-105 -59.14 -54.36 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.28 -26.72 68.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 -6.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.7 tp -75.57 -4.68 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.504 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 57.83 168.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -5.18 16.45 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.76 -43.05 23.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.9 mm-40 -87.38 -27.03 23.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.81 -20.23 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.3 mt-30 -54.81 -56.87 22.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.97 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.15 -56.53 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.12 -36.13 78.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.4 -26.34 65.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -78.73 -40.39 33.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -20.08 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -16.21 60.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.08 14.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.61 -17.7 24.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -33.79 70.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -40.27 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -42.26 98.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.225 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.62 149.91 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.75 -30.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' SER . 25.4 t80 -62.96 -47.95 80.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 mtm -62.16 -37.91 87.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -56.38 -43.74 79.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.43 -24.05 37.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -78.37 -46.91 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -41.62 -27.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 32' ' ' ALA . 36.4 mt-10 -106.37 -26.28 11.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.518 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -102.0 36.09 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -108.49 3.26 22.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 15.3 t0 -119.1 -40.71 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 2.8 mp -53.99 -33.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -80.22 -41.61 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 HH21 ' HB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -57.94 -36.89 73.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -60.17 -45.66 92.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.01 -7.62 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -145.49 63.17 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.386 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.488 1.783 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -12.91 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 43' ' ' ASN . 2.4 pp -126.21 162.8 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLY . 41.4 p -128.18 -170.99 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' H ' ' NH2' ' A' ' 40' ' ' ARG . 6.5 t80 -37.38 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -37.81 -51.71 2.0 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.418 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -116.88 -16.49 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.9 -46.97 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.56 -8.96 73.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -97.44 3.31 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -121.13 -42.91 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 7.9 mt -46.54 -37.18 7.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.94 -32.52 62.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.52 -29.96 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 45.3 mttp -79.86 -33.96 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -60.86 -53.6 55.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 107.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -66.11 -26.83 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.23 0.18 57.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -80.54 2.18 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.49 170.94 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.443 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.6 Cg_endo -74.94 -8.25 19.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.14 -40.23 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 mm-40 -87.89 -29.04 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -11.97 56.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -64.17 -56.61 22.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.357 1.036 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -54.96 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.66 -38.33 69.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.85 60.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -76.9 -40.01 48.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.66 63.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -7.91 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -39.55 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 1.5 p30 -55.97 -19.14 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -48.88 -33.97 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -38.24 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -66.92 -33.3 75.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CG ' ' O ' ' A' ' 81' ' ' TYR . 3.7 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -99.44 153.45 18.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.34 -26.47 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -67.66 -49.17 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -31.67 66.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.4 m-85 -65.57 -53.97 34.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.5 -11.26 59.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -89.54 -46.68 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 1.3 m-80 -45.59 -26.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -33.07 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.3 m-80 -95.69 28.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.34 -12.39 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.24 -26.42 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.2 mp -58.03 -42.63 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -79.83 -44.35 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.53 -34.57 64.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.82 -6.71 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.47 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -146.25 63.24 8.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -75.04 -5.97 17.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -14.6 49.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 47' ' ' THR . 32.5 pt -111.37 -166.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 27.3 p -156.82 -179.43 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -40.97 -27.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.399 1.062 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -39.97 -47.44 3.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -21.31 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.19 -46.04 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.237 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.04 -13.26 83.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 13.9 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 9.3 mtmt -123.66 -42.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.9 mt -41.23 -35.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.4 -27.78 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -76.34 -34.3 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.3 mttm -75.54 -32.68 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CE3' HD21 ' A' ' 62' ' ' LEU . 64.1 t-105 -64.3 -60.31 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -23.02 32.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.91 -18.81 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD21 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -68.21 -9.66 48.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 51.58 173.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.06 -37.13 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 26.3 mm-40 -96.56 -23.58 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -81.14 -31.75 34.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -42.75 -56.81 5.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.08 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.11 -63.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tt0 -56.91 -37.72 71.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.98 -31.26 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -77.69 -36.93 50.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -73.18 -16.15 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.86 -50.56 9.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -19.2 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.91 -27.14 68.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -47.62 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -41.83 65.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.0 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.29 155.93 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.153 . . . . 0.0 110.067 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.26 -26.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' SER . 20.2 t80 -70.2 -49.1 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.44 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.1 mpp? -62.29 -22.77 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.0 m-85 -71.99 -52.97 14.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.561 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.43 -14.28 59.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.28 -50.68 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -45.15 -26.51 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 mm-40 -99.17 -31.81 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.5 m-80 -96.32 25.34 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.2 tmm_? -96.61 4.23 52.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.9 m-20 -112.48 -19.49 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 2.4 mp -75.34 -37.07 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.3 t -82.7 -44.08 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.01 -8.65 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -144.98 63.0 9.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 -1.07 10.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.82 -12.76 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 51' ' ' VAL . 2.2 pp -123.33 165.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLY . 28.0 p -130.89 -170.3 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.42 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 2.4 t80 -37.89 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.19 -48.27 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.603 1.189 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -118.25 -22.09 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 46' ' ' ILE . 1.4 t -60.39 -44.12 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.78 -11.64 73.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.578 1.174 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 0.88 48.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -118.81 -47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 4.9 mt -40.74 -37.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.72 -32.28 5.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.64 -32.62 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 62' ' ' LEU . 28.6 mttt -76.46 -35.93 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CE3' HD21 ' A' ' 62' ' ' LEU . 65.2 t-105 -60.52 -63.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 107.991 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -52.51 -27.05 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.99 -24.63 30.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.598 HD21 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -64.81 -12.08 44.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 52.21 176.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.58 21.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -36.15 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.8 mm-40 -100.19 -24.19 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -82.8 -17.99 42.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.497 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.9 mt-30 -55.4 -57.27 21.43 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.14 -43.29 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -56.34 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.96 -38.8 73.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -32.79 58.1 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -74.13 -36.64 64.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.583 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.53 -12.36 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -21.12 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -85.39 -41.26 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.28 -13.89 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -73.84 -20.4 60.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -98.31 -19.39 17.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -34.27 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -99.03 153.44 18.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.86 -29.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' SER . 9.8 t80 -67.18 -45.89 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.5 mpp? -68.19 -26.04 65.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.0 m-85 -66.98 -45.11 78.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.31 -27.66 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.82 -46.26 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.3 -28.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -104.59 -31.82 9.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.557 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -93.47 28.07 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -98.78 -3.46 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.12 -32.34 6.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.7 mp -56.56 -41.38 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -80.66 -42.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -29.39 26.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -77.61 -17.94 57.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 39' ' ' VAL . 9.1 mt-10 -102.38 -15.22 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 13.9 p30 -138.53 60.47 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.499 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -15.58 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 47' ' ' THR . 0.7 OUTLIER -99.77 -176.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 46' ' ' ILE . 11.8 p -122.5 -167.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.13 -24.18 62.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.48 -9.55 85.98 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -117.48 -12.18 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.15 -47.16 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -6.52 76.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.05 4.35 42.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -121.07 -43.47 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 36' ' ' ARG . 7.6 mt -46.9 -39.17 11.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.07 -31.27 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.28 -31.04 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.6 mmtt -78.64 -31.01 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -63.85 -51.29 65.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -26.59 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.87 3.66 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' A' ' 63' ' ' THR . 1.2 tp -80.71 2.75 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.696 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 53.92 158.6 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.696 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.9 -0.14 9.56 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.4 mm-40 -87.26 -25.2 24.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 8.0 mm-40 -101.74 -28.55 12.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -28.94 32.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -45.61 -56.92 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.28 -57.72 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.67 -32.7 72.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.11 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -79.37 -39.45 32.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.41 -15.49 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -22.83 56.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -45.74 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -64.74 -12.96 52.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.48 -28.35 69.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -98.89 -36.84 9.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -22.66 40.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.2 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.71 157.77 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.9 -28.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 4.5 t80 -65.7 -47.49 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' CD2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -65.38 -30.36 71.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -63.29 -44.06 96.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -26.42 31.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -76.81 -46.4 25.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -50.02 -24.15 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -101.71 -37.22 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.6 m-80 -94.19 29.1 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -91.72 -9.56 43.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.61 -24.4 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.3 mp -60.41 -40.57 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' CG2' HD23 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -79.23 -44.91 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' PRO . 66.8 mtp85 -55.15 -36.67 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -39.12 83.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.66 -6.31 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.478 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -149.83 62.98 6.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.99 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -13.61 34.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.5 pt -113.39 -170.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 20.6 p -155.52 -179.61 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -37.41 -31.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -40.79 -45.72 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' CG ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -127.27 2.5 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -89.31 -41.76 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.187 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 -9.62 84.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -104.9 8.12 34.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.63 -40.67 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 39' ' ' VAL . 12.3 mt -50.42 -34.78 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.86 -30.88 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 86.2 mttt -78.18 -34.8 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.406 ' CE3' HD21 ' A' ' 62' ' ' LEU . 56.5 t-105 -60.18 -52.57 64.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.13 -28.45 69.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.1 9.23 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' THR . 4.1 tp -82.2 4.27 24.06 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.716 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 53.72 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.716 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.07 -1.58 11.43 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -86.82 -23.85 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 19.6 mm-40 -104.06 -28.23 11.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.04 -27.75 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.492 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.22 -56.66 11.57 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -49.57 -59.66 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -60.49 -35.92 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -76.93 -41.03 45.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -66.16 -18.41 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -16.43 59.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.64 -47.56 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -19.02 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.16 -28.05 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.97 -46.37 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -43.24 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.5 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -93.35 151.87 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 109.95 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.5 -28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' SER . 16.3 t80 -65.87 -45.21 82.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.65 -32.58 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD2' ' HB1' ' A' ' 74' ' ' ALA . 43.7 m-85 -64.06 -45.01 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -16.26 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -88.32 -45.67 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.4 m-80 -46.87 -25.67 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.9 mm-40 -102.1 -34.22 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.72 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -93.64 26.85 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.13 -16.04 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.49 -14.43 12.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 94.3 mt -66.4 -36.09 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -85.41 -43.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -28.63 64.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.56 -5.92 24.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.467 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -153.18 62.9 4.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.05 -0.84 10.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.88 -12.73 38.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.493 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 28.2 pt -112.3 -169.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.6 p -146.3 -175.48 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 7.0 t80 -50.34 -36.69 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.99 -38.54 1.24 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.493 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -118.48 -19.53 8.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.32 -48.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.21 -17.02 73.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -105.38 14.95 28.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 0.715 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -120.5 -40.54 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mt -50.33 -37.56 37.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.49 -34.05 48.52 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.577 1.173 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.15 -29.74 66.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 0.712 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 34.0 mttt -79.5 -32.48 42.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.25 -50.22 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -26.75 65.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.46 -0.14 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.499 ' O ' ' O ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -78.93 2.0 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.713 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.5 t 54.12 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.713 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.04 -0.65 10.24 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' H ' ' CG2' ' A' ' 63' ' ' THR . 2.0 mm-40 -87.0 -24.77 24.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -101.98 -28.61 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -82.13 -28.28 32.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -46.71 -56.36 11.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.04 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.56 -59.74 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.4 tt0 -57.6 -37.43 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.38 -27.44 65.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -35.94 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -75.33 -18.1 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -74.29 -23.4 59.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -44.21 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -13.4 62.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.78 -29.54 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -41.81 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -30.36 69.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.3 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -88.87 152.86 21.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.45 -29.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.55 -41.5 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.469 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.56 -32.5 74.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' ALA . 40.4 m-85 -63.89 -51.09 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.577 ' CE1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.28 -22.27 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.09 -51.28 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.47 -28.18 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 32' ' ' ALA . 40.2 tt0 -98.67 -36.35 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.602 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -92.8 28.43 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.601 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.69 -12.1 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.9 -11.4 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 71.6 mt -72.38 -35.03 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.68 -45.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -58.57 -32.35 68.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 t -65.52 -38.02 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.59 -9.61 51.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.458 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -145.09 62.93 9.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.08 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -13.32 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 47' ' ' THR . 22.1 pt -114.04 -167.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 27.8 p -156.69 -179.09 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 1.7 t80 -40.78 -27.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -43.1 -45.35 6.17 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.417 1.073 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.82 -0.51 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.78 -49.24 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -73.37 -12.38 79.98 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 13.06 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.716 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -43.51 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 mt -46.51 -40.83 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.61 -33.42 26.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.76 -26.41 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttm -79.87 -36.48 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -60.41 -52.79 63.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 107.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -66.08 -27.86 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.36 7.28 45.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' CE1' ' A' ' 31' ' ' PHE . 2.3 tp -85.56 8.19 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.704 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.6 t 53.63 158.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.704 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.6 mm-40 -88.36 -23.64 23.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 25.0 mm-40 -100.64 -29.03 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -31.57 31.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.8 mt-30 -43.69 -56.49 7.13 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.96 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -48.3 -55.15 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.064 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.48 -36.58 78.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.63 -29.49 64.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -77.62 -36.78 51.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -72.19 -17.44 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -20.72 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.86 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.75 -22.7 64.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.5 -24.32 65.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -46.55 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -37.14 61.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.96 148.6 25.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.61 -28.86 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.57 -45.3 83.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.6 tpp -64.37 -32.99 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' A' ' 74' ' ' ALA . 32.0 m-85 -61.16 -46.29 91.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.67 -23.09 34.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.94 -41.06 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.3 m-80 -50.57 -23.07 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.91 -34.92 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.3 m-80 -93.79 27.48 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.38 -13.66 32.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.234 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -113.93 -14.97 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 48.1 mt -67.73 -36.59 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -84.44 -46.43 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 3.9 ptm180 -56.88 -33.11 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -63.69 -39.02 93.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.34 -6.46 56.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.473 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -148.06 62.52 6.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.01 -0.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -12.56 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 15.5 pt -113.53 -175.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.7 p -148.91 -179.14 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.8 t80 -38.58 -33.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' PHE . . . -37.15 -49.04 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.98 -4.47 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.65 -47.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.47 -10.2 85.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -106.99 12.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.28 -42.73 2.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 39' ' ' VAL . 7.1 mt -47.53 -40.23 18.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.94 -30.61 37.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.7 -33.82 75.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 11.3 mttp -77.34 -32.4 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 75.4 t-105 -60.4 -49.71 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.2 67.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 2.66 56.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 63' ' ' THR . 2.3 tp -78.58 1.21 23.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.683 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 54.28 158.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -75.06 1.3 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' H ' ' CG2' ' A' ' 63' ' ' THR . 0.6 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.9 mm-40 -103.98 -25.81 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -83.3 -37.86 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.449 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -40.05 -54.71 4.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.476 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -74.96 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.422 1.748 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.6 -60.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.74 -36.81 72.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -32.03 62.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -75.46 -37.8 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -69.82 -17.9 63.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -15.0 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.38 -45.77 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -18.96 9.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -48.73 -32.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -77.52 -52.66 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.411 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -33.92 60.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.5 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -120.79 148.58 43.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -39.49 -31.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.5 t80 -63.39 -50.6 69.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.0 mpp? -62.34 -36.33 81.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 111.066 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.68 -37.99 22.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 29' ' ' MET . 2.9 m-80 -69.72 -7.86 42.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.73 -33.58 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -106.52 13.91 27.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -75.6 -7.53 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.519 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -115.47 -10.77 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -76.73 -34.69 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -86.9 -43.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.1 ptm180 -60.48 -28.74 68.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.13 80.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.25 -14.57 25.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.473 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -140.52 61.22 15.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.9 0.21 9.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -11.94 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 19.6 pt -115.43 -171.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.5 p -149.8 -176.45 5.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -42.46 -26.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.54 -41.53 4.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 5.68 4.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.39 -37.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -84.14 -2.55 89.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 2.72 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.98 -35.66 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 11.4 mt -56.27 -31.57 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.8 -36.19 91.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.91 -30.32 71.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.1 mttt -79.23 -31.93 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -62.41 -48.87 77.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.3 ptpt -67.49 -28.55 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.84 8.45 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' A' ' 31' ' ' PHE . 1.5 tp -81.81 4.48 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.715 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.5 t 53.75 159.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.715 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.05 -1.42 11.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.9 mm-40 -86.84 -24.22 25.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 15.4 mm-40 -102.05 -29.81 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -83.29 -23.85 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.3 mt-30 -51.7 -56.02 24.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.0 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -61.11 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -55.83 -37.28 68.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -32.28 46.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -76.7 -37.93 55.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -19.41 60.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -17.07 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.47 18.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -16.01 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -29.82 68.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -80.15 -34.46 37.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -70.24 -38.85 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.4 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.85 153.67 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -43.0 -28.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' SER . 5.1 t80 -66.9 -49.7 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -59.36 -29.97 68.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.7 m-85 -66.92 -44.1 81.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.549 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.44 -19.31 46.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.77 -46.19 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.429 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -45.86 -26.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 tt0 -99.22 -35.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.589 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -93.34 26.13 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -88.72 -12.05 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.494 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.59 -12.66 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 72.6 mt -70.68 -34.78 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -84.54 -48.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -57.64 -32.8 67.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.417 1.073 . . . . 0.0 110.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 -28.64 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.68 -10.43 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.484 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -145.6 61.24 7.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.07 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -12.59 34.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 33.4 pt -112.37 -169.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -140.19 -176.86 4.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 110.422 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CE1' ' NE ' ' A' ' 36' ' ' ARG . 2.3 t80 -56.47 -27.0 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.25 -29.45 22.28 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.42 2.3 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' CG2' HD13 ' A' ' 46' ' ' ILE . 2.1 t -107.14 -40.16 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.575 ' CA ' ' CE1' ' A' ' 48' ' ' PHE . . . -70.94 -26.31 74.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -97.08 11.9 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -113.76 -21.88 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' A' ' 39' ' ' VAL . 17.4 mt -77.2 -19.96 56.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.403 ' N ' ' HH ' ' A' ' 28' ' ' TYR . . . -71.07 -40.22 62.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -65.57 -28.12 68.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.2 mtpp -79.12 -32.9 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 63.1 t-105 -62.24 -52.05 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.58 3.76 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.3 tp -81.79 5.19 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.724 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.5 t 54.43 159.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.724 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.466 ' H ' ' CG2' ' A' ' 63' ' ' THR . 5.0 mm-40 -85.85 -25.46 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 24.5 mm-40 -97.61 -29.38 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.04 -27.98 32.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.0 mt-30 -46.97 -56.48 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.26 -58.83 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 7.3 tt0 -59.0 -36.23 74.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.56 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.0 -40.97 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -64.32 -16.37 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -11.93 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.94 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.5 t0 -53.8 -20.08 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -44.8 -31.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -39.75 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 4.8 mmm-85 -63.07 -33.31 75.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 6.7 t80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 1.5 mp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 154.83 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . . . -45.68 -28.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.61 -45.51 71.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.54 -27.86 69.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.79 -50.65 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -75.54 -26.98 58.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -75.17 -53.91 8.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.8 m-80 -46.01 -26.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 tp10 -99.46 -32.95 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.577 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.2 m-80 -94.96 24.82 4.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.4 tpp85 -92.23 -8.39 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 13.3 m-20 -111.63 -17.55 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.88 -37.81 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.27 -45.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 2.1 ptm180 -55.79 -31.65 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.1 t -68.83 -26.38 65.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.8 -12.77 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.456 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -144.81 62.98 9.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 -8.75 20.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -11.59 58.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 31.9 pt -115.92 -175.07 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 49' ' ' GLY . 30.8 p -147.32 -176.78 5.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.401 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -42.04 -26.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -51.2 -27.15 14.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -146.53 18.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.8 -42.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.39 2.32 84.88 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 3.95 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HD3' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.68 -33.75 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 12.0 mt -51.56 -27.21 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.17 -30.3 77.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.82 -32.06 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -77.54 -34.45 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.461 ' CE3' HD21 ' A' ' 62' ' ' LEU . 73.6 t-105 -60.62 -46.74 89.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -67.41 -29.27 68.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 0.22 56.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.548 HD22 ' CE2' ' A' ' 70' ' ' TYR . 3.5 tp -75.62 -4.87 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.585 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 53.09 171.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 -29.16 8.52 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.8 mt-10 -57.04 -38.72 73.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 1.9 mm-40 -94.69 -26.95 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -83.43 -5.06 59.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -71.88 -57.13 4.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.7 Cg_endo -74.91 -39.15 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.548 ' CE2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -58.28 -68.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.62 -33.92 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.75 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.29 -35.19 63.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.28 -15.86 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -19.27 58.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.55 -43.68 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.15 -13.42 36.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -64.59 -11.89 39.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' TYR . 1.6 ttpt -117.22 -56.56 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -43.14 -26.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.2 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -77.3 145.53 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.928 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.52 -33.57 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -68.6 -44.67 73.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -58.52 -30.81 67.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.5 m-85 -67.79 -53.41 27.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -76.43 -20.22 57.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.63 -51.05 8.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.1 -27.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 7.0 mm-40 -98.33 -33.38 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.596 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -92.38 23.12 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -106.86 14.68 26.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 41' ' ' SER . 27.0 m-20 -120.31 -36.56 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 1.192 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.13 -43.67 89.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -87.41 -42.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 61.4 ttt85 -62.41 -25.37 67.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.078 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 28.5 t -76.54 -32.43 58.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -90.98 -6.62 53.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.466 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -146.81 62.08 7.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.02 -4.55 15.56 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.427 1.751 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -13.98 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 31.8 pt -110.6 -168.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 22.4 p -156.34 -176.56 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -38.92 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -45.46 -44.32 11.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.81 0.5 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.65 -42.85 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.19 -17.75 68.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -0.76 57.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -111.26 -35.33 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.7 mt -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.21 -30.33 54.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.11 -26.6 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.7 mttm -81.37 -34.85 31.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 59.8 t-105 -61.49 -51.84 66.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -66.6 -28.45 68.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.34 -0.95 57.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -82.25 4.6 22.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.71 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.6 t 54.1 159.15 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 0.36 9.0 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.9 mm-40 -86.86 -27.37 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.452 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.49 -30.69 13.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.02 -26.72 33.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.49 -56.81 11.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.41 1.742 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.68 -56.17 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -63.27 -34.62 78.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.3 67.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -77.81 -37.47 48.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.37 -15.31 62.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -16.41 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.69 -46.99 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -22.52 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -71.26 -6.53 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -109.21 -39.77 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -13.86 61.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -82.93 149.93 26.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.446 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -42.65 -30.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 26' ' ' SER . 14.2 t80 -67.82 -46.12 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.1 mpp? -57.0 -33.51 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 51.3 m-85 -65.24 -57.79 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.83 -24.21 66.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.56 -51.14 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.49 -28.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.3 mm-40 -98.87 -36.18 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.681 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -92.64 28.3 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.218 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.86 -13.28 24.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.2 m-20 -116.0 -10.48 11.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 72.0 mt -74.54 -34.27 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -85.52 -43.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.498 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -58.18 -31.96 67.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -64.24 -38.78 92.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.62 -9.03 53.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -145.62 62.72 8.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.98 -0.76 10.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -12.16 40.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 HG12 ' CB ' ' A' ' 43' ' ' ASN . 13.9 pt -114.73 -174.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 49' ' ' GLY . 22.6 p -148.49 -177.15 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -42.42 -27.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -47.14 -40.28 13.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.88 3.71 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 110.378 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.05 -46.51 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.07 80.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -103.96 14.06 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -41.21 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 8.4 mt -50.68 -37.99 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.73 -29.29 12.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.41 -30.53 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' LEU . 22.9 mttt -78.9 -35.87 42.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.425 ' CE3' HD21 ' A' ' 62' ' ' LEU . 67.5 t-105 -59.23 -52.36 66.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -29.03 69.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.68 -7.24 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 31' ' ' PHE . 2.9 tp -73.78 -4.54 35.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.601 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 52.35 171.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.94 -29.0 8.79 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.7 mt-10 -57.92 -36.94 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 10.0 mm-40 -96.4 -27.78 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -4.35 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -71.95 -57.32 4.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.04 -39.37 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -57.32 -66.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.36 -38.44 66.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.73 -31.95 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -76.66 -35.7 57.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.571 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -73.95 -17.13 61.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -21.28 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.72 -45.63 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -20.93 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -23.56 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -38.94 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -45.83 79.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 30.6 mt . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -135.12 149.53 50.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.15 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.51 -37.23 79.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 3.2 ttm -77.33 -19.52 56.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -72.27 -47.65 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -83.64 -20.67 33.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -78.13 -45.37 23.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -43.12 -28.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.1 mt-10 -99.58 -34.93 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.9 m-80 -91.64 26.22 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.99 -17.62 24.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.17 -13.89 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.02 -35.15 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -83.82 -43.31 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -37.1 71.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -63.87 -30.76 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.13 -5.46 40.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.48 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -152.68 61.48 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 -0.26 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -90.4 -17.47 27.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.501 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 39.3 pt -106.24 -169.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -144.05 -176.06 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.466 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 18.3 t80 -55.11 -29.48 57.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.33 -29.29 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.05 4.82 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 0.74 . . . . 0.0 110.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG2' ' CD1' ' A' ' 46' ' ' ILE . 2.9 t -109.55 -39.52 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -81.79 -15.09 76.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -105.94 13.89 28.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -116.5 -37.42 3.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -50.74 -27.75 7.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -26.37 53.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.98 -29.85 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 9.2 mttm -78.61 -37.7 41.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 47.6 t-105 -58.56 -55.27 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -62.58 -28.38 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.3 7.65 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 63' ' ' THR . 3.0 tp -85.23 8.14 19.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.678 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.6 t 53.68 157.95 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.678 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.574 1.828 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.461 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.4 mm-40 -89.72 -23.96 21.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.2 mm-40 -99.34 -28.91 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.233 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 1.1 ttpp -82.72 -33.1 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -43.65 -55.47 8.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -75.04 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.622 1.853 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -46.6 -55.28 7.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -62.68 -34.92 78.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.98 69.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -39.86 59.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -66.16 -16.95 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -14.57 60.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.23 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -20.87 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -24.35 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -87.98 -50.27 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -51.59 -37.11 48.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.9 155.36 21.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.65 -30.64 9.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -65.53 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mmt -71.09 -34.42 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -62.77 -52.83 61.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD1' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.58 -18.53 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.29 -42.65 22.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.88 -19.2 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.66 -33.52 8.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -91.62 20.8 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -2.91 49.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.66 -19.51 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -70.36 -37.81 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -81.86 -54.87 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -49.22 -31.41 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -73.33 -36.91 66.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.28 -10.87 51.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' O ' HG12 ' A' ' 46' ' ' ILE . 8.4 p30 -152.13 68.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 1.41 7.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.69 -21.81 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 43' ' ' ASN . 43.2 pt -102.45 -177.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 12.5 p -148.73 174.27 12.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' THR . 19.4 t80 -37.92 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -41.16 -41.83 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -124.95 -20.37 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 46' ' ' ILE . 3.8 t -67.65 -37.75 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.6 -17.88 72.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -105.13 16.2 26.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 0.723 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -41.68 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.5 mt -42.82 -38.04 2.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.06 -27.79 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.78 -39.22 61.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.3 mmtt -71.62 -31.58 67.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CZ3' ' CD1' ' A' ' 62' ' ' LEU . 57.9 t-105 -62.75 -62.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -53.41 -24.4 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.64 -24.79 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.631 ' CD1' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -65.55 -11.3 42.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.48 174.18 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.01 -12.31 21.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.37 -44.78 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.7 mm-40 -87.51 -25.38 23.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.46 -25.76 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -47.94 -56.79 12.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.0 -48.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -49.56 -59.04 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.8 -34.53 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 68' ' ' GLN . . . -53.66 -36.26 61.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -74.57 -36.8 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.56 -14.76 60.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -21.27 56.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.59 -46.2 17.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -19.85 65.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -66.13 -28.85 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.81 -40.6 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -44.63 93.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 8.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.62 152.78 27.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -49.52 -30.67 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.52 -31.39 72.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.26 -44.81 74.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.79 -43.56 90.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE1' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.02 -23.93 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.43 -57.33 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.209 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.42 -26.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.2 mm-40 -92.1 -42.75 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -92.58 26.88 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -91.04 -4.73 56.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.35 -24.39 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 22.5 mt -61.04 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -88.2 -46.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -27.05 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -69.93 -18.85 63.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.08 -16.09 13.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.552 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 16.2 p30 -138.92 57.45 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -9.59 59.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 2.2 pp -130.08 175.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . 40.2 p -130.26 -172.81 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -39.84 -27.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -46.36 -32.07 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.466 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -136.43 9.62 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -102.9 -45.1 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -64.02 -24.71 68.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -0.09 52.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 0.718 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 39' ' ' VAL . 3.6 tttt -111.88 -25.1 9.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.99 -27.38 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.1 85.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -61.86 -27.64 68.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 0.735 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 2.6 mmtt -81.62 -33.09 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 65.5 t-105 -62.07 -49.43 76.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -30.17 69.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.25 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -77.84 1.15 21.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.671 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 54.12 157.65 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.671 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.98 0.33 9.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.42 1.747 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.47 ' H ' ' CG2' ' A' ' 63' ' ' THR . 0.4 OUTLIER -89.5 -22.16 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.0 mm-40 -103.84 -31.01 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.527 ' HD2' ' CE2' ' A' ' 59' ' ' TRP . 24.0 mtmt -80.54 -33.35 36.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -39.9 -56.99 2.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.02 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.47 -61.06 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LYS . 35.4 tt0 -53.35 -39.67 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.47 -30.18 60.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -76.36 -35.88 58.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 27' ' ' ALA . . . -74.89 -18.72 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -20.8 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.53 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -18.98 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -74.66 -25.63 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -35.32 19.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -46.64 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.958 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -120.47 155.71 32.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.32 -28.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 6.1 t80 -65.55 -45.54 82.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 tpp -64.86 -32.01 73.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -62.24 -45.21 94.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -81.52 -24.68 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -79.33 -49.8 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -41.28 -29.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -100.74 -32.63 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.2 m-80 -95.12 29.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -96.89 -13.31 22.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.7 m-20 -117.39 -7.4 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 59.0 mt -76.63 -34.02 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -84.91 -45.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 8.5 ptm180 -56.04 -30.21 61.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -40.29 92.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.0 -5.44 58.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.488 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -148.87 61.62 5.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.382 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.93 -1.61 11.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.053 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.27 -15.47 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 43' ' ' ASN . 35.1 pt -109.08 -169.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.9 p -146.18 -175.56 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 19.7 t80 -52.94 -33.64 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.72 -37.52 2.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.68 -21.09 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -77.37 -47.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -72.03 -16.45 76.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 16.14 26.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -125.31 -43.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 8.9 mt -44.28 -41.12 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.02 -33.95 22.6 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.68 -31.51 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 6.7 mmtt -79.13 -40.72 30.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 73.1 t-105 -53.98 -43.15 69.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.87 57.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.47 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 63' ' ' THR . 1.6 mp -80.38 3.79 20.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.645 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.3 t 53.21 156.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.645 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.04 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.461 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.8 mm-40 -87.95 -26.78 22.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -104.15 -27.87 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -33.55 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.481 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -40.6 -56.08 3.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.04 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -57.4 4.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.15 -36.4 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.59 -29.98 53.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -43.05 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.46 -21.3 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -16.72 60.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.44 20.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -16.12 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -63.55 -22.43 66.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.31 -37.84 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 4.5 ttm105 -71.4 -30.59 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -98.91 150.21 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.16 -29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' SER . 4.3 t80 -65.32 -49.64 68.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.5 mpp? -56.23 -36.25 68.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -75.47 -29.87 59.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -76.46 -53.7 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.81 -27.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' ALA . 30.2 tt0 -98.84 -37.58 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.611 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -93.91 30.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.91 -14.04 35.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.508 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m-20 -117.04 -9.51 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 70.8 mt -73.41 -34.07 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -85.19 -46.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 ptm180 -57.13 -33.08 67.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -64.89 -37.79 88.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.42 -6.75 54.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.463 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -148.38 62.78 6.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.0 Cg_endo -75.03 0.18 9.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.799 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -12.76 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 51' ' ' VAL . 19.4 pt -113.33 -179.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 49' ' ' GLY . 7.6 p -142.57 177.37 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -40.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -44.92 -44.72 8.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -1.98 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -86.25 -49.88 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.25 -14.2 76.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.068 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.92 14.23 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -120.98 -41.5 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 39' ' ' VAL . 11.0 mt -49.19 -36.47 19.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.35 -29.29 37.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.62 -28.79 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 39.4 mttm -79.54 -36.38 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 48.8 t-105 -60.89 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -67.31 -24.05 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.24 5.83 50.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.4 tp -82.12 6.04 17.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER 52.13 171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.491 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' ' HB3' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.555 1.818 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.3 mt-10 -83.58 -21.75 32.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.766 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -119.51 -11.5 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.365 1.041 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.577 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -92.39 -27.12 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.793 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.8 pt20 -74.89 -32.82 1.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.04 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 1.7 m-85 -61.39 -48.41 81.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 19.3 tt0 -60.52 -33.27 72.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.18 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -36.7 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.88 61.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -18.46 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.94 -45.91 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.93 -21.96 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.5 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -38.52 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -44.57 93.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.12 154.73 17.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.44 -30.82 13.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -63.24 -32.11 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.24 -48.91 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 81.7 m-85 -52.07 -39.51 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.5 -25.47 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -78.15 -48.35 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -44.75 -27.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 4.7 tt0 -101.64 -32.75 10.19 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.556 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.5 m-80 -99.81 33.91 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.9 mmt180 -107.88 3.78 24.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.86 -39.67 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.03 -36.52 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.72 -42.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -30.91 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 t -72.31 -33.53 67.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -87.83 -8.86 55.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 110.238 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -147.9 63.41 7.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.243 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -11.3 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -108.23 -175.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 46' ' ' ILE . 62.3 p -127.62 -172.22 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 8.4 t80 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.29 -7.91 47.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -117.12 -11.77 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.72 -44.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.92 69.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -4.85 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 109.247 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.29 -42.44 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 8.5 mt -48.91 -38.91 24.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.13 -26.09 48.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.82 -29.98 56.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -82.09 -31.75 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.901 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -63.05 -48.16 79.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -71.23 -26.97 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.35 4.38 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.579 HD23 ' CE1' ' A' ' 31' ' ' PHE . 1.1 mp -83.14 -2.74 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.644 ' CG2' ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 55.2 167.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.6 Cg_endo -75.03 15.3 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.644 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.0 mm-40 -97.16 -41.08 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 40.1 mm-40 -89.25 -25.06 21.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLU . 10.0 ttpt -84.98 -38.61 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 2.1 mt-30 -39.62 -54.04 4.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.3 Cg_endo -75.04 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -51.1 -59.03 4.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -52.71 -41.31 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.35 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -71.88 -35.75 69.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -76.3 -13.98 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -73.9 -25.82 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -41.83 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.601 1.188 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -22.9 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -30.42 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -86.4 -35.6 19.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.52 -40.85 88.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.89 154.5 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.06 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.56 13.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.76 -32.14 73.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mmt -69.61 -47.71 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -52.88 -42.3 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CE1' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -78.45 -29.74 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -73.8 -52.16 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.91 -23.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -38.81 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -96.18 30.73 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 1.4 tmm_? -92.64 -15.2 27.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -116.22 -10.76 11.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 73.2 mt -71.85 -34.98 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -84.82 -46.74 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.3 ptm180 -56.19 -33.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.4 t -63.74 -34.19 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -93.56 -6.05 47.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -148.41 61.95 6.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.98 0.41 8.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -14.56 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.482 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 36.8 pt -110.18 -171.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -142.18 -175.81 4.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.552 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 3.1 t80 -54.96 -30.13 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.78 -36.86 6.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.482 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.55 -21.99 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.272 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 46' ' ' ILE . 2.0 t -76.71 -49.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -68.44 -17.73 70.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.44 15.39 28.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.17 -42.6 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 7.0 mt -46.43 -39.18 10.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.4 -29.8 17.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.448 1.092 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.6 -28.12 58.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 0.825 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 8.2 mtpt -80.78 -39.92 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.6 t-105 -56.75 -49.46 75.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -70.22 -26.09 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.28 8.4 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 31' ' ' PHE . 1.7 tp -84.76 4.23 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.514 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 53.23 169.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.97 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.589 1.837 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.4 mt-10 -82.97 -22.51 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.259 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.781 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -118.68 -11.69 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.581 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 tttm -92.01 -27.15 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.787 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.5 pt20 -74.8 -32.52 1.34 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.06 -55.41 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -51.15 70.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.55 -33.55 72.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.73 74.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 -12.92 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.64 59.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.6 -42.02 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -19.15 47.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.93 -25.3 68.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -34.16 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -67.1 -40.74 86.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 111.037 179.94 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.545 ' CB ' ' HE1' ' A' ' 29' ' ' MET . 1.3 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -122.02 157.54 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.489 ' CA ' ' HB1' ' A' ' 74' ' ' ALA . . . -43.79 -27.25 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.511 ' HA ' ' CE2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.31 -57.47 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.545 ' HE1' ' CB ' ' A' ' 25' ' ' LEU . 5.8 tmm? -52.22 -45.74 65.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' CD2' ' HE2' ' A' ' 29' ' ' MET . 58.5 m-85 -50.11 -46.85 54.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.751 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -80.05 -17.57 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -80.76 -52.93 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' ND2' ' SD ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -42.47 -28.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 mm-40 -98.36 -32.98 11.24 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.9 m-80 -97.22 30.79 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -104.36 12.03 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.32 -38.55 2.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.408 1.067 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.79 -37.09 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.95 -43.64 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -58.34 -37.19 74.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -62.25 -43.56 98.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.63 -10.17 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.504 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 3.5 m-20 -138.52 60.09 19.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 1.51 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -18.16 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.1 pt -102.09 177.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -121.01 -169.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -65.95 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.92 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.63 -8.42 60.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.81 -13.75 10.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.91 -42.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.69 -20.76 70.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -79.62 -4.86 53.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 0.828 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -120.18 -46.87 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -48.73 -44.17 38.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.16 -31.8 8.88 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.01 -36.27 83.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.86 -29.93 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 31' ' ' PHE . 32.2 t-105 -61.49 -60.34 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -60.93 -24.25 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.99 -1.65 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.384 1.052 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD21 ' CE3' ' A' ' 59' ' ' TRP . 3.1 tp -80.52 3.38 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.658 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER 52.84 168.61 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.01 -24.17 13.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.468 ' H ' ' CG2' ' A' ' 63' ' ' THR . 2.3 mm-40 -60.11 -37.75 80.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 4.5 mm-40 -91.87 -25.71 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -82.18 -14.96 54.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.52 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -59.35 -58.4 19.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.99 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.55 -58.31 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.05 -37.35 76.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.75 -24.06 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -82.51 -52.84 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.489 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . -60.96 -17.27 50.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -16.62 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.47 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -16.19 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -62.32 -27.32 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -88.42 -26.91 21.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 2.2 mtp180 -69.95 -47.42 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.978 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -90.22 145.72 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -40.83 -30.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' SER . 12.6 t80 -67.87 -47.46 68.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 mpp? -62.0 -31.08 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' ALA . 27.2 m-85 -62.5 -54.88 33.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -26.33 58.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.68 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.1 m-80 -48.94 -24.88 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -106.41 -29.86 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.0 OUTLIER -93.9 28.27 2.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' NE ' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.46 -16.68 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.2 m-20 -117.61 -8.23 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 62.5 mt -74.69 -34.1 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -85.21 -45.87 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 7.9 ptm180 -57.03 -33.23 66.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -60.74 -37.94 83.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.58 -11.3 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.52 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -141.5 59.29 9.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.03 6.21 3.54 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -21.94 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.608 ' C ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -97.55 -177.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.509 ' N ' HG12 ' A' ' 46' ' ' ILE . 33.3 p -124.73 -179.23 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 1.1 t80 -60.86 -18.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.87 -13.14 83.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -117.05 -18.29 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.29 -44.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.57 -18.77 75.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.48 16.89 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' GLU . 2.8 mttp -129.17 -43.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 5.1 mt -42.44 -45.49 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.96 -35.84 8.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mt-10 -66.59 -30.02 70.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.5 mmtt -78.85 -40.9 31.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.428 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 63.9 t-105 -53.94 -45.23 71.18 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -73.88 -25.24 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.74 -7.42 58.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.9 mp -74.39 -2.03 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.56 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 52.38 169.97 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.458 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -74.98 -27.92 9.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' H ' ' CG2' ' A' ' 63' ' ' THR . 2.7 mt-10 -59.49 -45.89 90.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' OE1' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -90.44 -27.85 19.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 63' ' ' THR . 18.8 ttpt -83.37 -6.22 59.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.5 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -67.54 -57.06 10.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.92 -41.34 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.619 ' CD2' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -53.26 -61.69 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 29.5 tt0 -63.34 -35.35 80.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.12 -26.97 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -79.59 -41.91 26.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.562 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -69.17 -18.1 63.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -21.89 57.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.242 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -40.73 44.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.45 -12.67 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -72.69 -26.9 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.0 -11.08 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -26.41 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.3 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -91.97 151.59 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.96 -30.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' N ' ' C ' ' A' ' 26' ' ' SER . 11.9 t80 -64.54 -50.07 68.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.9 mpp? -55.69 -40.87 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -55.64 -51.48 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -72.01 -22.8 61.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' MET . 27.7 m120 -56.84 -20.21 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -102.75 -39.15 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.617 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -95.46 28.86 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -16.47 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -10.58 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 86.8 mt -69.72 -35.19 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -84.45 -43.26 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -33.74 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -64.03 -34.33 77.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.73 -7.63 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -149.83 63.64 6.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.04 0.4 8.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.11 -11.18 39.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.449 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.2 pt -115.88 -173.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -150.44 -178.74 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.02 -27.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.35 -40.48 10.9 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.381 1.051 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.3 5.51 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.5 -38.16 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.32 76.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 10.95 40.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 5.0 mmtt -112.31 -26.07 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 39' ' ' VAL . 15.7 mt -72.4 -24.82 61.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.65 95.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 20.2 mttm -84.08 -34.97 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 49.6 t-105 -61.44 -52.17 65.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -26.89 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -93.87 10.27 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 31' ' ' PHE . 1.2 tp -87.59 16.39 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.711 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.3 t 53.06 159.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.711 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.88 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' H ' ' CG2' ' A' ' 63' ' ' THR . 4.0 mt-10 -84.47 -20.54 31.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.781 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.2 mm-40 -116.53 -13.59 10.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.53 -26.26 18.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.796 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 7.1 pt20 -75.15 -31.9 1.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.09 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -41.46 93.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 111.054 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -68.8 -33.0 73.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.14 80.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -76.16 -39.37 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -12.95 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -22.58 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.18 -33.93 24.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -21.06 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -71.64 -26.28 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -87.54 -41.64 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -47.57 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.959 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.9 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -94.34 152.16 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.934 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . . . -41.42 -29.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 8.5 t80 -66.55 -47.27 73.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.7 mpp? -65.11 -30.05 70.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 19.7 m-85 -61.39 -49.14 78.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.5 -26.69 45.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -76.49 -50.4 14.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 1.1 m-80 -40.98 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.3 mt-10 -100.39 -31.5 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -95.13 29.08 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 4.2 ttp180 -103.66 8.41 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -114.28 -30.34 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.51 -36.08 76.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.18 -47.32 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 1.1 ptm180 -57.61 -32.96 67.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -33.42 75.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -93.3 -7.15 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -147.56 61.75 6.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.94 -5.84 17.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.38 -13.77 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.452 HG13 ' CB ' ' A' ' 43' ' ' ASN . 2.2 pp -121.89 171.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLY . 69.4 p -131.46 -171.09 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 10.3 t80 -37.46 -31.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.78 -43.92 1.77 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.75 -4.11 9.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.72 -46.9 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -72.32 -8.6 70.96 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -107.65 8.25 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -122.85 -42.81 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' LYS . 6.9 mt -52.14 -41.16 62.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -47.7 -34.47 10.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.06 -33.33 75.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttt -76.47 -32.85 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.445 ' CH2' ' HB3' ' A' ' 27' ' ' ALA . 70.3 t-105 -60.61 -49.01 79.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 107.964 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -65.8 -28.53 69.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.43 6.56 48.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.624 ' CD2' ' CD1' ' A' ' 31' ' ' PHE . 3.7 tp -78.29 -2.32 37.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.664 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER 52.91 167.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -22.79 14.37 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.468 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.6 mm-40 -63.49 -34.47 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.02 -25.78 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.02 -28.59 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.3 mt-30 -46.49 -55.92 12.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.0 -47.04 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -55.33 -72.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' CB ' ' HG2' ' A' ' 67' ' ' LYS . 10.8 tt0 -46.35 -42.28 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 75' ' ' GLN . . . -63.97 -47.5 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.08 -24.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 72' ' ' ALA . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.836 HE21 ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -70.68 -6.17 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.836 ' N ' HE21 ' A' ' 75' ' ' GLN . . . -102.98 -54.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.94 -24.48 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.87 -28.83 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 -36.22 28.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -64.11 -44.37 92.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.95 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -90.52 155.09 19.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.38 -29.91 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.88 -30.51 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 mmt -74.0 -40.12 63.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -59.1 -44.14 91.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.65 -33.78 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' GLU . . . -71.83 -49.22 40.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -47.27 -23.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 32' ' ' ALA . 3.6 mt-10 -107.28 -29.08 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.544 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -96.36 31.14 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -99.6 -5.83 28.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.5 t0 -114.22 -32.7 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 13.0 mt -57.28 -32.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.62 -43.96 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.48 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -64.02 -40.85 97.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.54 -5.78 59.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.473 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -149.56 63.41 6.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.99 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.36 -16.1 29.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 37.2 pt -109.61 -177.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -145.85 179.96 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -45.24 -24.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.55 -49.69 7.05 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.425 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -118.62 -15.75 9.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' CG2' HD13 ' A' ' 46' ' ' ILE . 1.5 t -65.76 -42.67 92.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.78 14.77 27.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -119.37 -39.65 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -49.05 -31.51 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.58 -27.55 48.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.72 -32.09 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.312 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 mttm -78.33 -36.63 46.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.455 ' CE3' HD21 ' A' ' 62' ' ' LEU . 55.2 t-105 -58.46 -52.72 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.053 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.92 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.211 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -91.38 4.64 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 3.6 tp -80.08 1.87 26.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 51.15 170.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.03 -27.02 10.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 63' ' ' THR . 4.7 mt-10 -61.59 -25.04 67.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.797 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 1.6 mm-40 -116.12 -14.03 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.06 -25.18 19.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.789 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 3.9 pt20 -75.43 -33.2 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.09 -53.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.34 -48.3 80.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 24.4 tt0 -61.71 -36.17 80.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.6 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -74.37 -33.59 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -19.66 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 -47.08 12.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.27 -18.27 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -58.85 -29.4 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -89.34 -32.97 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.23 -41.81 98.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.541 0.21 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -167.0 151.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 178.16 88.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.04 139.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -177.48 97.03 0.23 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -178.05 134.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -174.4 150.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 148.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -170.84 127.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -147.5 123.54 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 4.6 ptt180 -154.46 142.04 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.2 mttp 169.35 -168.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm 64.54 145.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -132.86 -172.43 2.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -156.9 157.1 30.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -66.0 77.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.602 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -121.32 145.62 42.77 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -74.97 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -40.0 -60.52 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 164.88 42.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 54.03 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -40.05 153.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -90.75 153.38 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.72 -29.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 41.9 t80 -66.85 -48.69 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -55.1 -37.06 66.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 61.5 m-85 -62.29 -51.74 66.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.08 -31.52 69.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.56 -53.63 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' NH2' ' A' ' 36' ' ' ARG . 1.9 m-80 -40.98 -29.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.8 mm-40 -99.11 -35.71 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.499 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -93.69 29.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -97.11 -9.32 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -111.63 -29.87 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mp -56.04 -40.63 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.38 -43.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.64 -28.13 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -73.87 -22.72 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.69 -8.27 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -148.31 61.68 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.08 -17.93 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 HG12 ' CB ' ' A' ' 43' ' ' ASN . 31.1 pt -106.41 -178.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.4 p -129.82 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 9.1 t80 -57.1 -27.5 61.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.33 -36.39 7.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -115.65 -23.01 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.0 -50.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.86 -15.05 73.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.55 13.01 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -41.66 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 8.1 mt -51.16 -34.01 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.28 -26.3 28.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.17 -29.66 38.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.47 -38.4 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 41.5 t-105 -58.5 -52.31 66.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.35 -27.76 68.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -87.79 -1.44 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD21 ' CD1' ' A' ' 31' ' ' PHE . 2.5 tp -78.58 0.82 24.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.446 HG21 ' CD ' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 56.64 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' CD ' HG21 ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.99 -7.1 18.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.59 -40.74 48.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 4.9 mm-40 -87.25 -29.41 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -13.97 54.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -61.61 -56.99 27.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.01 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -54.59 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.88 -25.13 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -78.94 -40.85 30.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -66.65 -13.19 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -14.98 59.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -36.14 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.08 -17.63 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -55.0 -24.67 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 -41.07 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.35 67.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 21' ' ' PRO . 8.5 t80 -62.0 -15.4 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.34 -19.76 30.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -39.68 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.41 -12.0 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.64 -33.14 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.51 -34.81 76.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 91' ' ' THR . 0.0 OUTLIER -76.41 -44.87 34.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.602 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 5.5 t80 -51.35 -48.38 62.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -72.54 -34.41 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.88 -25.48 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 87' ' ' LEU . 5.8 p -79.63 -28.18 40.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 pp -121.77 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.39 176.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.1 t -136.72 114.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.14 15.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.571 1.827 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -173.26 179.61 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 67.96 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.83 2.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 179.09 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 151.06 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -132.96 19.52 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -74.94 97.76 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -149.88 106.66 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.15 130.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.18 160.8 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.82 67.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -117.03 -175.52 2.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.85 158.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.95 -159.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -69.54 77.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . . . -123.56 146.92 51.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.71 20.71 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -47.55 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.88 101.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -40.34 108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mp -57.91 166.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -104.82 152.12 22.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.08 -29.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -66.76 -48.9 67.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -62.0 -51.55 67.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.17 -33.39 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -74.15 -55.3 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -40.24 -29.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -95.7 -37.1 10.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -93.23 29.01 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -101.68 1.75 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.76 -36.76 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -55.23 -38.3 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -42.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -55.93 -33.69 64.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -59.15 -42.31 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.4 -6.66 58.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.463 ' CB ' HG13 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -147.66 62.73 7.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 0.73 8.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.2 -11.88 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 HG13 ' CB ' ' A' ' 43' ' ' ASN . 2.5 pp -121.37 167.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLY . 44.3 p -132.02 -173.63 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 6.2 t80 -37.68 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.184 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -36.82 -47.93 1.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -10.76 9.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 46' ' ' ILE . 1.3 t -79.16 -45.68 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -77.24 -3.89 82.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -101.51 -7.3 22.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -116.41 -28.44 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 10.7 mt -62.99 -27.81 69.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.72 -34.21 87.82 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.582 1.177 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.53 -30.82 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.0 mmtt -78.22 -35.33 48.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -58.38 -49.82 75.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -66.02 -29.94 70.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.99 57.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.493 HD23 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -76.62 -1.85 29.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 55.78 168.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.96 -9.04 20.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.0 -45.13 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 35.0 mm-40 -85.52 -29.1 24.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -11.82 57.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.1 mt-30 -63.07 -57.48 20.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -60.07 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.43 -38.27 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -30.91 61.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -75.99 -37.92 57.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.85 63.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -19.65 60.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.64 -50.56 9.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -56.66 -19.0 14.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.3 -30.36 70.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.35 -42.5 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -59.78 -39.46 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.414 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 49.1 t80 -60.94 -17.29 50.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.89 -20.65 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.206 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 m -66.58 -58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -31.8 73.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.209 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.3 tt0 -60.12 -49.77 76.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -48.14 69.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 3.6 t80 -56.38 -48.38 77.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 1.1 t30 -72.42 -35.54 68.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 1.195 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -65.44 -14.39 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -42.05 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.25 -43.83 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.525 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.0 m 40.82 65.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.48 110.41 62.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -170.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.28 148.71 70.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.71 5.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -164.28 137.15 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -47.91 116.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.02 140.92 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -101.24 138.14 38.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -137.0 97.99 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -84.86 142.06 30.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -64.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -164.3 67.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.77 96.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.95 143.08 24.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' C ' ' ND2' ' A' ' 19' ' ' ASN . 18.3 Cg_endo -75.0 -158.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 38.7 72.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.01 151.15 18.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.46 19.15 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -40.9 -71.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.12 92.09 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 81' ' ' TYR . . . -52.03 111.73 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mp -85.83 159.39 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 154.29 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -49.5 -30.19 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -30.82 71.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.2 -38.83 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 65.0 m-85 -60.79 -48.0 83.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.55 -29.94 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -75.54 -54.27 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -28.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -99.1 -32.19 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.3 m-80 -97.71 31.43 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -103.96 10.79 36.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.19 -39.83 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.8 -39.02 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 55' ' ' LEU . 0.8 OUTLIER -82.38 -42.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -30.64 66.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -90.97 -6.44 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.443 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.5 OUTLIER -148.42 63.27 7.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 0.45 8.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -14.52 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -103.05 -172.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.437 ' N ' HG13 ' A' ' 46' ' ' ILE . 8.2 p -128.43 -168.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 9.8 t80 -67.33 -32.32 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.59 -8.53 67.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.03 -7.9 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -95.22 -40.12 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' HH21 ' A' ' 36' ' ' ARG . . . -67.27 -21.62 72.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -9.49 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.6 0.823 . . . . 0.0 109.296 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 16.2 mmtt -111.31 -27.07 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 11.1 mt -76.29 -25.5 54.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.62 98.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 1.4 pt-20 -69.21 -26.04 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 4.6 mttp -80.99 -37.75 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.556 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 41.3 t-105 -58.82 -52.05 67.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.77 -29.28 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.54 1.35 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' CE2' ' A' ' 31' ' ' PHE . 2.1 tp -80.46 2.49 25.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.502 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.74 169.99 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.03 -9.67 20.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.9 -43.7 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 32.9 mm-40 -85.7 -27.42 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -12.76 56.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.494 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -62.75 -57.07 23.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -52.2 -59.79 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 4.8 tt0 -60.2 -34.59 73.84 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.277 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -77.79 -36.3 50.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -74.22 -15.24 61.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -21.83 56.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.46 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -60.68 -22.73 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -70.6 -24.81 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -42.67 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -37.13 69.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD1' ' HB1' ' A' ' 24' ' ' ALA . 63.9 t80 -67.77 -9.12 41.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.62 -19.68 20.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -55.9 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -32.07 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -62.65 -29.57 70.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.92 -50.84 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -52.73 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.54 -44.27 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.06 -28.4 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.83 -14.43 58.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -5.9 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -79.59 -57.82 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -168.1 133.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.69 94.2 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.17 18.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -178.37 145.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 170.56 80.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.76 36.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -173.29 151.77 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.4 133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.219 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.24 121.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -157.3 129.42 7.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -148.0 142.75 26.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 92.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -174.86 157.31 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.61 -72.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.31 158.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -176.95 137.45 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 -159.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -65.58 76.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.6 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -133.97 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 159.56 41.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -91.56 57.48 3.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.3 ptt180 36.92 86.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.86 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.75 162.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.6 154.56 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.43 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 2.6 t80 -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.404 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 11.8 mmt -72.88 -42.41 63.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -54.96 -44.17 74.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -78.49 -21.59 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.14 -47.8 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 29' ' ' MET . 30.2 m120 -48.74 -23.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -39.35 8.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -93.85 28.17 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.42 -11.59 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -110.66 -27.26 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mt -55.7 -43.25 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -82.14 -42.75 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.93 -33.35 70.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ASP . 31.0 t -61.06 -35.88 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.75 -8.93 39.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.479 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -146.75 61.81 7.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.91 -17.95 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.498 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 45.9 pt -109.24 -167.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.8 p -148.07 -174.41 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.4 -33.42 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.24 -38.14 3.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.51 -14.95 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 46' ' ' ILE . 2.3 t -83.22 -37.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -67.07 -31.99 79.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 0.46 27.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -29.71 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 18.1 mt -76.29 -34.62 59.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -57.98 -46.12 92.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -63.71 -25.36 68.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.1 mmtt -80.12 -35.89 36.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.2 t-105 -60.79 -54.17 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.047 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -27.8 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.57 4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 31' ' ' PHE . 3.1 tp -82.54 5.83 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 54.52 166.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -1.88 11.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.02 -39.15 21.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 10.8 mm-40 -85.3 -29.74 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -81.81 -24.56 35.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -49.62 -57.32 12.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -75.01 -49.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -52.57 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 111.081 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.75 -37.92 69.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.64 -28.51 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -77.85 -38.79 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -15.4 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -20.0 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.84 -50.62 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.17 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -26.95 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -84.35 -48.32 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.5 -37.84 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -63.08 -15.72 57.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.1 -19.7 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -55.2 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.03 -28.47 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.76 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 3.1 mt-10 -62.77 -47.37 83.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -43.72 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.227 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.6 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 2.0 t80 -50.03 -43.98 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.488 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -80.71 -30.79 36.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.42 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.6 t -80.15 -17.62 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 89' ' ' ASN . 17.0 mt -71.95 -55.67 7.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.538 0.209 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.36 175.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -157.08 145.88 14.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.16 2.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -138.26 -53.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 66.09 139.16 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -170.86 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 174.1 169.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.31 -66.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER 63.23 141.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.345 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 m -130.35 135.56 48.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -127.99 113.41 15.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.47 124.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -70.87 -73.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? 63.86 124.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -45.69 108.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -124.92 152.91 70.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.366 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -74.98 -159.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.521 1.801 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.1 p-10 -64.96 76.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -130.39 167.94 18.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.01 139.84 24.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 53.65 2.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 41.09 84.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.43 122.18 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 109.232 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.93 166.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -97.56 153.16 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -29.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.98 -43.74 91.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 mtm -65.92 -34.12 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -59.6 -46.94 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.95 -17.04 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -85.64 -48.38 8.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -40.89 -29.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -99.79 -33.83 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.245 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.9 m-80 -96.47 31.92 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 18.2 tpp180 -98.75 -6.51 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 57.9 m-20 -110.85 -25.15 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.6 mp -64.05 -38.32 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.02 -46.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -54.97 -33.03 62.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.9 t -67.0 -31.49 72.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.71 -6.55 45.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.466 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -148.19 61.96 6.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -18.93 29.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.3 pt -102.81 -168.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.2 p -129.8 -168.82 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 15.6 t80 -68.57 -38.4 80.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.69 -8.69 48.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.578 1.173 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.89 -10.97 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.98 -42.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.37 -14.83 67.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -4.01 55.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 -43.37 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' LYS . 10.0 mt -48.2 -39.02 19.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.81 -30.08 8.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.0 -28.47 60.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.722 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LEU . 5.6 mptt -78.87 -37.15 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.419 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 47.8 t-105 -59.14 -54.36 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.28 -26.72 68.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 -6.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.7 tp -75.57 -4.68 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.504 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 57.83 168.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -5.18 16.45 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.76 -43.05 23.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.9 mm-40 -87.38 -27.03 23.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.81 -20.23 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.3 mt-30 -54.81 -56.87 22.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.97 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.15 -56.53 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.12 -36.13 78.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.4 -26.34 65.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -78.73 -40.39 33.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -20.08 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -16.21 60.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.08 14.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.61 -17.7 24.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -33.79 70.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -40.27 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -42.26 98.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.225 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.8 t80 -67.07 -13.87 62.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -91.19 -34.49 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.83 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -16.76 54.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.41 -30.45 53.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 1.4 mm-40 -64.06 -27.93 69.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.2 -44.85 12.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.599 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 2.9 t80 -55.36 -44.98 76.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -70.75 -33.62 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.7 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -23.74 64.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.99 -63.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.476 0.179 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t -150.43 150.79 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 62.0 p -127.79 138.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.4 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -131.42 164.15 26.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.93 16.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -174.54 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.812 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -145.18 178.11 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.66 178.42 7.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -164.37 165.17 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.69 163.8 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -117.73 -66.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.27 167.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.0 -171.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 161.25 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -129.82 117.79 20.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -93.45 156.72 39.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -159.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 5.4 p30 -72.19 78.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -127.93 142.18 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.95 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 62.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.563 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 39.15 39.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.421 ' CB ' ' HB2' ' A' ' 77' ' ' ASP . . . 39.04 57.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mp 54.66 169.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.62 149.91 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.75 -30.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' SER . 25.4 t80 -62.96 -47.95 80.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 mtm -62.16 -37.91 87.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -56.38 -43.74 79.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.43 -24.05 37.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -78.37 -46.91 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -41.62 -27.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 32' ' ' ALA . 36.4 mt-10 -106.37 -26.28 11.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.518 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -102.0 36.09 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -108.49 3.26 22.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 15.3 t0 -119.1 -40.71 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 2.8 mp -53.99 -33.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -80.22 -41.61 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 HH21 ' HB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -57.94 -36.89 73.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -60.17 -45.66 92.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.01 -7.62 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.473 ' HB3' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -145.49 63.17 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.386 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.488 1.783 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -12.91 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 43' ' ' ASN . 2.4 pp -126.21 162.8 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLY . 41.4 p -128.18 -170.99 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' H ' ' NH2' ' A' ' 40' ' ' ARG . 6.5 t80 -37.38 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -37.81 -51.71 2.0 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.418 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -116.88 -16.49 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.9 -46.97 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.56 -8.96 73.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -97.44 3.31 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -121.13 -42.91 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 7.9 mt -46.54 -37.18 7.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.94 -32.52 62.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.52 -29.96 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 45.3 mttp -79.86 -33.96 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -60.86 -53.6 55.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 107.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -66.11 -26.83 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.23 0.18 57.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -80.54 2.18 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.49 170.94 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.443 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.6 Cg_endo -74.94 -8.25 19.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.14 -40.23 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 mm-40 -87.89 -29.04 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -11.97 56.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -64.17 -56.61 22.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.357 1.036 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -54.96 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.66 -38.33 69.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.83 -27.85 60.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -76.9 -40.01 48.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.66 63.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -7.91 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -39.55 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.421 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 1.5 p30 -55.97 -19.14 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -48.88 -33.97 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -38.24 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -66.92 -33.3 75.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 23' ' ' ARG . 3.7 t80 -75.52 -3.09 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -34.58 13.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -45.66 91.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -23.93 60.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -68.99 -28.91 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 mm-40 -62.0 -53.13 59.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -46.66 85.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 4.7 t80 -61.08 -58.95 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.439 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -59.1 -34.21 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -68.58 -24.54 64.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.95 -21.43 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.78 -61.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.48 0.181 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.68 176.85 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 3' ' ' THR . 6.9 t -160.51 103.99 1.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.56 35.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.44 146.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.1 109.27 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.91 34.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -169.48 157.68 7.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.79 164.6 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -153.76 170.31 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 12' ' ' THR . 7.3 m -146.34 -65.76 0.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 49.46 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.402 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 179.27 151.92 0.37 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.02 -178.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt 59.47 155.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.59 171.18 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.72 143.04 39.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.95 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 88' ' ' TYR . 2.3 p-10 -65.08 77.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . . . -129.06 161.08 60.31 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.99 152.45 40.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -90.1 55.56 3.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER 38.58 90.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.523 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -41.21 109.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.09 164.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -99.44 153.45 18.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.34 -26.47 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -67.66 -49.17 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -31.67 66.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.4 m-85 -65.57 -53.97 34.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.5 -11.26 59.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -89.54 -46.68 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 1.3 m-80 -45.59 -26.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -33.07 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.3 m-80 -95.69 28.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.34 -12.39 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.24 -26.42 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.2 mp -58.03 -42.63 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -79.83 -44.35 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.53 -34.57 64.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.82 -6.71 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.47 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -146.25 63.24 8.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -75.04 -5.97 17.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -14.6 49.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 47' ' ' THR . 32.5 pt -111.37 -166.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 27.3 p -156.82 -179.43 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -40.97 -27.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.399 1.062 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -39.97 -47.44 3.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -21.31 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.19 -46.04 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.237 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.04 -13.26 83.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 13.9 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 9.3 mtmt -123.66 -42.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.9 mt -41.23 -35.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.4 -27.78 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -76.34 -34.3 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.3 mttm -75.54 -32.68 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CE3' HD21 ' A' ' 62' ' ' LEU . 64.1 t-105 -64.3 -60.31 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -23.02 32.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.91 -18.81 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD21 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -68.21 -9.66 48.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 51.58 173.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.06 -37.13 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 26.3 mm-40 -96.56 -23.58 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.496 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -81.14 -31.75 34.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -42.75 -56.81 5.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.08 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.576 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.11 -63.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CB ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tt0 -56.91 -37.72 71.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.98 -31.26 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -77.69 -36.93 50.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -73.18 -16.15 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.86 -50.56 9.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -19.2 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.91 -27.14 68.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -47.62 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -41.83 65.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 11.0 t80 -59.14 -18.4 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -84.96 -18.92 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.05 -51.48 61.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.12 -26.65 61.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -26.49 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -40.83 97.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -44.75 44.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.578 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 4.0 t80 -50.51 -46.04 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -76.12 -28.74 57.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.49 -31.3 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 88' ' ' TYR . 15.0 t -80.57 -4.24 53.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -55.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.423 0.154 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.09 62.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -100.82 108.01 51.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.767 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -136.85 165.9 24.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.13 144.64 54.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -144.03 124.19 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -171.44 156.9 4.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 115.1 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -62.59 162.32 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -123.24 160.12 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -82.48 159.26 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.79 157.52 16.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 171.29 11.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 112.31 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.4 165.17 13.44 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -71.25 78.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.606 ' CB ' ' CE1' ' A' ' 88' ' ' TYR . . . -120.71 153.92 57.01 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.6 36.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.61 44.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 48.17 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -44.6 112.77 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.0 mp -61.27 166.07 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.29 155.93 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.153 . . . . 0.0 110.067 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.26 -26.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' SER . 20.2 t80 -70.2 -49.1 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.44 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.1 mpp? -62.29 -22.77 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.0 m-85 -71.99 -52.97 14.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.561 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.43 -14.28 59.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.28 -50.68 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -45.15 -26.51 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 mm-40 -99.17 -31.81 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.5 m-80 -96.32 25.34 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.2 tmm_? -96.61 4.23 52.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.9 m-20 -112.48 -19.49 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 2.4 mp -75.34 -37.07 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.3 t -82.7 -44.08 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.01 -8.65 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -144.98 63.0 9.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 -1.07 10.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.82 -12.76 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 51' ' ' VAL . 2.2 pp -123.33 165.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLY . 28.0 p -130.89 -170.3 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 2.4 t80 -37.89 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.19 -48.27 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.603 1.189 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -118.25 -22.09 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 46' ' ' ILE . 1.4 t -60.39 -44.12 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.78 -11.64 73.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.578 1.174 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 0.88 48.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -118.81 -47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 58' ' ' LYS . 4.9 mt -40.74 -37.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.72 -32.28 5.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.64 -32.62 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 62' ' ' LEU . 28.6 mttt -76.46 -35.93 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CE3' HD21 ' A' ' 62' ' ' LEU . 65.2 t-105 -60.52 -63.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 107.991 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -52.51 -27.05 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.99 -24.63 30.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.598 HD21 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -64.81 -12.08 44.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 52.21 176.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.58 21.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -36.15 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.8 mm-40 -100.19 -24.19 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -82.8 -17.99 42.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.497 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.9 mt-30 -55.4 -57.27 21.43 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.14 -43.29 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -56.34 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.96 -38.8 73.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -32.79 58.1 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -74.13 -36.64 64.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.583 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.53 -12.36 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -21.12 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -85.39 -41.26 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.28 -13.89 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -73.84 -20.4 60.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -98.31 -19.39 17.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -34.27 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 51.3 t80 -67.98 -12.62 61.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.79 -19.54 30.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.65 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.13 -34.14 68.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -33.49 76.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.229 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.47 -49.92 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -49.07 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.606 ' CE1' ' CB ' ' A' ' 20' ' ' ALA . 2.6 t80 -54.88 -43.67 73.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -67.89 -44.27 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.88 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -74.11 -30.91 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.93 99.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.466 0.174 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -165.07 153.26 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 2.5 m -49.37 146.53 6.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 3' ' ' THR . 18.5 Cg_endo -74.96 172.67 15.9 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.782 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -132.24 -179.19 5.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.86 88.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 179.48 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.28 170.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -132.83 174.81 9.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -103.56 171.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -61.34 140.36 58.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -118.1 170.56 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 62.43 157.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.76 150.97 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 174.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.26 178.09 4.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.8 136.25 23.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -66.17 76.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.541 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -125.12 159.29 60.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 167.44 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ARG . 11.1 tttp -102.47 56.56 0.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 35.89 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.51 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -40.37 123.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -80.77 169.21 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -99.03 153.44 18.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.86 -29.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' SER . 9.8 t80 -67.18 -45.89 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.5 mpp? -68.19 -26.04 65.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.0 m-85 -66.98 -45.11 78.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.442 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.31 -27.66 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.82 -46.26 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.3 -28.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -104.59 -31.82 9.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.557 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -93.47 28.07 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -98.78 -3.46 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.12 -32.34 6.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.7 mp -56.56 -41.38 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -80.66 -42.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -29.39 26.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -77.61 -17.94 57.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 39' ' ' VAL . 9.1 mt-10 -102.38 -15.22 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 13.9 p30 -138.53 60.47 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.499 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -15.58 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 47' ' ' THR . 0.7 OUTLIER -99.77 -176.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 46' ' ' ILE . 11.8 p -122.5 -167.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.13 -24.18 62.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.48 -9.55 85.98 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -117.48 -12.18 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.15 -47.16 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -6.52 76.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.05 4.35 42.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -121.07 -43.47 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 36' ' ' ARG . 7.6 mt -46.9 -39.17 11.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.07 -31.27 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.28 -31.04 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.6 mmtt -78.64 -31.01 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -63.85 -51.29 65.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -26.59 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.87 3.66 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.51 ' O ' ' O ' ' A' ' 63' ' ' THR . 1.2 tp -80.71 2.75 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.696 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 53.92 158.6 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.696 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.9 -0.14 9.56 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.4 mm-40 -87.26 -25.2 24.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 8.0 mm-40 -101.74 -28.55 12.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -28.94 32.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -45.61 -56.92 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.28 -57.72 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.67 -32.7 72.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.11 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -79.37 -39.45 32.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.41 -15.49 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -22.83 56.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -45.74 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -64.74 -12.96 52.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.48 -28.35 69.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -98.89 -36.84 9.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -22.66 40.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.51 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 72.2 t80 -80.14 -17.0 53.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.65 -19.62 27.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -40.5 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.48 -16.36 49.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -32.03 31.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 12.2 mt-10 -59.18 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.98 -46.86 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 5.5 t80 -57.49 -50.66 72.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.32 -38.09 78.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -59.25 -23.89 62.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.41 -31.24 24.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.0 104.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.557 0.218 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -167.09 149.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -69.13 113.1 14.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.44 2.36 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.29 165.68 35.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.65 129.01 0.66 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.62 5.17 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' LYS . 8.6 tptt -157.07 -61.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 45.28 -168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 20.1 mtm180 61.19 121.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.2 t -161.53 170.88 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -118.75 -177.38 3.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -164.61 120.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 174.79 126.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.09 7.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 136.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 177.1 169.88 0.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.05 -159.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.452 1.764 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.07 76.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.508 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -138.42 158.77 69.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.32 55.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 51.5 99.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . -40.61 120.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -42.55 163.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.71 157.77 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.9 -28.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 4.5 t80 -65.7 -47.49 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' CD2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -65.38 -30.36 71.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -63.29 -44.06 96.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -26.42 31.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -76.81 -46.4 25.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -50.02 -24.15 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -101.71 -37.22 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.6 m-80 -94.19 29.1 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -91.72 -9.56 43.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.61 -24.4 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.3 mp -60.41 -40.57 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' CG2' HD23 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -79.23 -44.91 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' PRO . 66.8 mtp85 -55.15 -36.67 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -39.12 83.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.66 -6.31 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.478 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -149.83 62.98 6.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.99 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -13.61 34.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.5 pt -113.39 -170.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 20.6 p -155.52 -179.61 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -37.41 -31.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -40.79 -45.72 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' CG ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -127.27 2.5 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -89.31 -41.76 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.187 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 -9.62 84.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -104.9 8.12 34.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.63 -40.67 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 39' ' ' VAL . 12.3 mt -50.42 -34.78 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.86 -30.88 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 86.2 mttt -78.18 -34.8 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.406 ' CE3' HD21 ' A' ' 62' ' ' LEU . 56.5 t-105 -60.18 -52.57 64.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.13 -28.45 69.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.1 9.23 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' THR . 4.1 tp -82.2 4.27 24.06 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.716 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 53.72 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.716 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.07 -1.58 11.43 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 63' ' ' THR . 0.5 OUTLIER -86.82 -23.85 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 19.6 mm-40 -104.06 -28.23 11.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.04 -27.75 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.492 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.22 -56.66 11.57 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -49.57 -59.66 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -60.49 -35.92 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.15 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -76.93 -41.03 45.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -66.16 -18.41 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -16.43 59.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.64 -47.56 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -19.02 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.16 -28.05 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.97 -46.37 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -43.24 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -52.77 -19.39 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.92 -20.22 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.52 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.75 -19.82 51.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.25 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -77.19 -34.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -58.17 -38.1 76.0 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -44.15 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.508 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 5.7 t80 -53.87 -52.29 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -64.57 -29.66 70.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.24 -18.17 65.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 88' ' ' TYR . 1.1 t -87.27 -2.68 58.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.79 175.95 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.563 0.221 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.14 166.0 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.4 m -54.61 108.21 1.08 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.472 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.57 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -179.32 3.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.54 163.85 45.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.64 2.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -141.01 -178.95 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -177.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -166.8 142.35 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -69.21 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 -178.76 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -146.12 148.65 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.47 175.64 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -120.16 -63.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LYS . 3.1 m-20 60.93 122.65 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -158.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.77 73.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB1' ' CD1' ' A' ' 88' ' ' TYR . . . -155.95 150.63 20.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.95 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 40.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.064 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.92 91.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.559 ' HB1' ' CD1' ' A' ' 81' ' ' TYR . . . -46.16 107.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.5 mp -63.45 166.29 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -93.35 151.87 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 109.95 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.5 -28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' SER . 16.3 t80 -65.87 -45.21 82.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.65 -32.58 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD2' ' HB1' ' A' ' 74' ' ' ALA . 43.7 m-85 -64.06 -45.01 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -16.26 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -88.32 -45.67 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.4 m-80 -46.87 -25.67 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.9 mm-40 -102.1 -34.22 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.72 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -93.64 26.85 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.13 -16.04 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.49 -14.43 12.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 94.3 mt -66.4 -36.09 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -85.41 -43.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -28.63 64.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.56 -5.92 24.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.467 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -153.18 62.9 4.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.05 -0.84 10.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.88 -12.73 38.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.493 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 28.2 pt -112.3 -169.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.6 p -146.3 -175.48 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 7.0 t80 -50.34 -36.69 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.99 -38.54 1.24 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.493 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -118.48 -19.53 8.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -78.32 -48.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.21 -17.02 73.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -105.38 14.95 28.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 0.715 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -120.5 -40.54 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mt -50.33 -37.56 37.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.49 -34.05 48.52 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.577 1.173 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.15 -29.74 66.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 0.712 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 34.0 mttt -79.5 -32.48 42.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.25 -50.22 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -26.75 65.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.46 -0.14 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.499 ' O ' ' O ' ' A' ' 63' ' ' THR . 1.0 OUTLIER -78.93 2.0 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.713 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.5 t 54.12 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.713 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.04 -0.65 10.24 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' H ' ' CG2' ' A' ' 63' ' ' THR . 2.0 mm-40 -87.0 -24.77 24.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -101.98 -28.61 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -82.13 -28.28 32.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -46.71 -56.36 11.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.04 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.56 -59.74 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.4 tt0 -57.6 -37.43 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.38 -27.44 65.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -35.94 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB1' ' CD2' ' A' ' 30' ' ' PHE . . . -75.33 -18.1 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -74.29 -23.4 59.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -44.21 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -13.4 62.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.78 -29.54 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -41.81 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -30.36 69.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CD1' ' HB1' ' A' ' 24' ' ' ALA . 35.2 t80 -69.28 -12.62 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -89.12 -20.03 24.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -52.58 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -70.03 -23.8 63.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -70.8 -26.69 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.52 -51.05 68.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -47.39 67.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.521 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 2.2 t80 -56.25 -44.58 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -75.08 -40.93 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.46 95.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -84.58 -0.19 52.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -98.09 138.7 35.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.438 0.161 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 9.6 p -166.37 71.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 t -172.54 135.78 0.8 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.463 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 59.49 5.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.96 153.71 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.467 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -41.78 -55.56 5.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 18.5 Cg_endo -74.99 123.95 8.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.34 176.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -105.72 -170.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -82.04 -77.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -121.38 113.84 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -118.87 107.49 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -157.55 148.13 21.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.14 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.75 159.87 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.65 158.89 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.55 153.71 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ASN . 18.3 Cg_endo -74.97 -158.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' PRO . 26.2 m120 38.48 71.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.04 156.76 11.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -74.99 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -84.93 52.34 2.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 40.39 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 151.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.3 mp -116.41 168.42 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -88.87 152.86 21.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.45 -29.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.55 -41.5 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.469 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.56 -32.5 74.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 74' ' ' ALA . 40.4 m-85 -63.89 -51.09 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.577 ' CE1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.28 -22.27 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.09 -51.28 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.47 -28.18 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 32' ' ' ALA . 40.2 tt0 -98.67 -36.35 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.602 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -92.8 28.43 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.69 -12.1 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.9 -11.4 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 71.6 mt -72.38 -35.03 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.68 -45.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -58.57 -32.35 68.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 t -65.52 -38.02 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.59 -9.61 51.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.458 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -145.09 62.93 9.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.08 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -13.32 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 47' ' ' THR . 22.1 pt -114.04 -167.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 27.8 p -156.69 -179.09 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 1.7 t80 -40.78 -27.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -43.1 -45.35 6.17 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.417 1.073 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.82 -0.51 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.78 -49.24 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -73.37 -12.38 79.98 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 13.06 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.716 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -43.51 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 mt -46.51 -40.83 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.61 -33.42 26.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.76 -26.41 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttm -79.87 -36.48 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -60.41 -52.79 63.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 107.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -66.08 -27.86 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.36 7.28 45.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' CE1' ' A' ' 31' ' ' PHE . 2.3 tp -85.56 8.19 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.704 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.6 t 53.63 158.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.704 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.6 mm-40 -88.36 -23.64 23.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 25.0 mm-40 -100.64 -29.03 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -31.57 31.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.8 mt-30 -43.69 -56.49 7.13 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.96 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -48.3 -55.15 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.064 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.48 -36.58 78.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.63 -29.49 64.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -77.62 -36.78 51.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -72.19 -17.44 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -20.72 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.86 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.75 -22.7 64.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.5 -24.32 65.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -46.55 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -37.14 61.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 21' ' ' PRO . 88.7 t80 -65.93 -13.5 59.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.1 -19.5 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.08 19.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -74.23 -34.81 63.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -65.4 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -42.56 75.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.97 -49.55 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -56.83 -47.39 80.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.41 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 1.2 t30 -64.29 -38.92 92.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.621 1.2 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.11 -21.9 63.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.61 -24.08 56.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.73 115.69 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.456 0.17 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.98 132.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -115.69 88.6 20.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.38 24.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.81 167.14 30.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -154.62 130.03 5.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 179.32 6.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.94 91.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.15 110.45 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -130.49 165.21 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -148.81 108.6 4.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -59.89 123.71 17.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 176.41 119.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -108.95 64.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -92.71 147.25 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 141.79 30.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.56 157.43 5.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.92 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.046 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.8 p-10 -65.26 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -124.93 145.52 50.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.04 21.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -126.16 58.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 52.53 40.13 29.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 81' ' ' TYR . . . 39.41 49.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' ALA . 1.7 mt 55.43 167.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.96 148.6 25.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.61 -28.86 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.57 -45.3 83.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.6 tpp -64.37 -32.99 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' A' ' 74' ' ' ALA . 32.0 m-85 -61.16 -46.29 91.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.67 -23.09 34.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.94 -41.06 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.3 m-80 -50.57 -23.07 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.91 -34.92 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.3 m-80 -93.79 27.48 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.38 -13.66 32.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.234 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -113.93 -14.97 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 48.1 mt -67.73 -36.59 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -84.44 -46.43 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 3.9 ptm180 -56.88 -33.11 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -63.69 -39.02 93.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.34 -6.46 56.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.473 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -148.06 62.52 6.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.01 -0.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -12.56 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 15.5 pt -113.53 -175.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.7 p -148.91 -179.14 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.8 t80 -38.58 -33.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' PHE . . . -37.15 -49.04 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.98 -4.47 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.65 -47.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.47 -10.2 85.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -106.99 12.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.28 -42.73 2.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 ' CG2' ' A' ' 39' ' ' VAL . 7.1 mt -47.53 -40.23 18.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.94 -30.61 37.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.7 -33.82 75.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 11.3 mttp -77.34 -32.4 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 75.4 t-105 -60.4 -49.71 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.2 67.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 2.66 56.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' O ' ' O ' ' A' ' 63' ' ' THR . 2.3 tp -78.58 1.21 23.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.683 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 54.28 158.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.683 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -75.06 1.3 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' H ' ' CG2' ' A' ' 63' ' ' THR . 0.6 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.9 mm-40 -103.98 -25.81 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -83.3 -37.86 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.449 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -40.05 -54.71 4.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.476 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -74.96 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.422 1.748 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.6 -60.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.74 -36.81 72.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -32.03 62.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -75.46 -37.8 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.416 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -69.82 -17.9 63.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -15.0 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.38 -45.77 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -18.96 9.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -48.73 -32.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -77.52 -52.66 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.411 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -33.92 60.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.5 t80 -60.33 -16.94 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.2 -19.23 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -65.21 -52.72 52.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -20.23 61.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -75.46 -26.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 1.7 tt0 -68.43 -32.87 73.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -44.68 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 6.5 t80 -54.07 -51.52 63.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -64.88 -29.98 70.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.59 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.362 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.0 t -121.42 31.76 6.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.39 -60.47 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.523 0.201 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 t -152.27 96.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.2 122.32 1.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -153.01 171.49 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.95 95.84 0.54 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -165.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 179.21 157.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 126.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.82 151.13 37.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -159.09 167.81 28.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -126.68 121.75 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.23 168.67 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.28 -168.61 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.72 108.66 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.81 94.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -131.88 143.02 47.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -74.95 -159.88 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.552 1.817 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.4 77.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -126.96 150.32 71.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.394 1.059 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.02 114.55 4.05 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.462 1.769 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -70.15 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.53 112.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' ' 25' ' ' LEU . . . -75.39 57.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' ALA . 1.6 mt 54.47 169.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -120.79 148.58 43.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -39.49 -31.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.5 t80 -63.39 -50.6 69.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.0 mpp? -62.34 -36.33 81.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 111.066 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.68 -37.99 22.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 29' ' ' MET . 2.9 m-80 -69.72 -7.86 42.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.73 -33.58 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -106.52 13.91 27.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -75.6 -7.53 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.519 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -115.47 -10.77 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 90.4 mt -76.73 -34.69 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -86.9 -43.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.1 ptm180 -60.48 -28.74 68.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.13 80.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.25 -14.57 25.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.473 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -140.52 61.22 15.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.9 0.21 9.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -11.94 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 19.6 pt -115.43 -171.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.5 p -149.8 -176.45 5.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -42.46 -26.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.54 -41.53 4.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 5.68 4.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.0 t -101.39 -37.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -84.14 -2.55 89.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 2.72 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.98 -35.66 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 11.4 mt -56.27 -31.57 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.8 -36.19 91.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.91 -30.32 71.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.1 mttt -79.23 -31.93 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -62.41 -48.87 77.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.3 ptpt -67.49 -28.55 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.84 8.45 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' A' ' 31' ' ' PHE . 1.5 tp -81.81 4.48 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.715 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.5 t 53.75 159.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.715 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.05 -1.42 11.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.9 mm-40 -86.84 -24.22 25.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 15.4 mm-40 -102.05 -29.81 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -83.29 -23.85 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.3 mt-30 -51.7 -56.02 24.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.0 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -61.11 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -55.83 -37.28 68.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.06 -32.28 46.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -76.7 -37.93 55.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -19.41 60.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -17.07 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.47 18.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -16.01 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -29.82 68.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -80.15 -34.46 37.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -70.24 -38.85 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -61.54 -12.49 15.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.83 -19.27 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 t -58.21 -49.38 77.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.614 1.196 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -69.8 -25.62 63.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -27.13 66.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -45.2 91.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -48.95 67.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.629 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 7.4 t80 -52.39 -46.27 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -74.41 -31.84 62.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.41 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 t -83.14 2.47 35.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.463 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.2 mt -95.13 99.9 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mmm . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.525 0.202 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 3' ' ' THR . 7.7 p -165.59 170.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 2' ' ' VAL . 52.4 m -158.44 115.57 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.18 4.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.34 179.54 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 2.6 pt-20 -178.21 106.72 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.415 1.745 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.37 152.6 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.09 168.25 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -178.53 167.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -166.72 161.64 15.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -125.69 171.44 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.15 127.9 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -178.5 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.4 pttm -126.25 122.25 35.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 1.2 mmtt 170.29 152.48 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER 175.0 160.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 2.1 p-10 -66.97 77.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -140.38 149.57 58.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.63 34.38 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -86.02 50.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 46.96 42.72 12.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ARG . . . 44.35 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.4 mp -114.34 166.35 11.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.363 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.85 153.67 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -43.0 -28.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' SER . 5.1 t80 -66.9 -49.7 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -59.36 -29.97 68.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.7 m-85 -66.92 -44.1 81.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.549 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.44 -19.31 46.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.77 -46.19 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.429 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -45.86 -26.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 tt0 -99.22 -35.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.589 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -93.34 26.13 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -88.72 -12.05 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.494 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.59 -12.66 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 72.6 mt -70.68 -34.78 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -84.54 -48.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -57.64 -32.8 67.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.417 1.073 . . . . 0.0 110.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 -28.64 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.68 -10.43 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.484 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -145.6 61.24 7.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.07 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -12.59 34.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 33.4 pt -112.37 -169.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -140.19 -176.86 4.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 110.422 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CE1' ' NE ' ' A' ' 36' ' ' ARG . 2.3 t80 -56.47 -27.0 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.25 -29.45 22.28 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.485 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.42 2.3 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' CG2' HD13 ' A' ' 46' ' ' ILE . 2.1 t -107.14 -40.16 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.575 ' CA ' ' CE1' ' A' ' 48' ' ' PHE . . . -70.94 -26.31 74.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -97.08 11.9 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -113.76 -21.88 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' A' ' 39' ' ' VAL . 17.4 mt -77.2 -19.96 56.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.403 ' N ' ' HH ' ' A' ' 28' ' ' TYR . . . -71.07 -40.22 62.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -65.57 -28.12 68.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.2 mtpp -79.12 -32.9 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 63.1 t-105 -62.24 -52.05 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.58 3.76 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.549 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.3 tp -81.79 5.19 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.724 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.5 t 54.43 159.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.724 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.466 ' H ' ' CG2' ' A' ' 63' ' ' THR . 5.0 mm-40 -85.85 -25.46 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 24.5 mm-40 -97.61 -29.38 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.04 -27.98 32.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.0 mt-30 -46.97 -56.48 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.26 -58.83 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 7.3 tt0 -59.0 -36.23 74.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.56 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.0 -40.97 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -64.32 -16.37 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -11.93 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.94 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.5 t0 -53.8 -20.08 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -44.8 -31.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -39.75 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 4.8 mmm-85 -63.07 -33.31 75.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' CE1' ' HA ' ' A' ' 23' ' ' ARG . 6.7 t80 -76.55 -7.43 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -34.66 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 110.247 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t -50.3 -43.88 53.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.29 -21.52 53.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -31.54 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 20.0 mt-10 -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.44 -44.89 23.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.623 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 7.3 t80 -56.5 -51.04 69.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -62.13 -31.6 72.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.2 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.47 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -83.49 1.62 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -114.18 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.527 0.203 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 p -73.79 -42.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.84 109.83 1.41 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -67.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.08 167.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -95.03 129.28 36.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -43.95 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.0 140.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.39 175.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -127.01 -52.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m 62.43 156.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -139.96 157.25 45.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 165.66 25.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.79 176.34 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -158.15 125.79 5.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.6 -55.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.01 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.4 p-10 -67.14 77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.581 ' HB1' ' CD1' ' A' ' 88' ' ' TYR . . . -120.46 141.25 31.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.13 142.35 27.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -81.78 61.76 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 47.74 43.72 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 43.74 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 1.5 mp -43.97 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.369 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 154.83 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . . . -45.68 -28.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.61 -45.51 71.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.54 -27.86 69.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.79 -50.65 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -75.54 -26.98 58.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -75.17 -53.91 8.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.8 m-80 -46.01 -26.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 tp10 -99.46 -32.95 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.577 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.2 m-80 -94.96 24.82 4.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.4 tpp85 -92.23 -8.39 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 13.3 m-20 -111.63 -17.55 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.5 mp -69.88 -37.81 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.27 -45.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 2.1 ptm180 -55.79 -31.65 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.1 t -68.83 -26.38 65.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.8 -12.77 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.456 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -144.81 62.98 9.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 -8.75 20.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -11.59 58.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 31.9 pt -115.92 -175.07 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 49' ' ' GLY . 30.8 p -147.32 -176.78 5.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.401 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -42.04 -26.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -51.2 -27.15 14.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -146.53 18.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.8 -42.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.39 2.32 84.88 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 3.95 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HD3' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.68 -33.75 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 12.0 mt -51.56 -27.21 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.17 -30.3 77.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.82 -32.06 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -77.54 -34.45 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.461 ' CE3' HD21 ' A' ' 62' ' ' LEU . 73.6 t-105 -60.62 -46.74 89.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -67.41 -29.27 68.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 0.22 56.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.548 HD22 ' CE2' ' A' ' 70' ' ' TYR . 3.5 tp -75.62 -4.87 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.585 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 53.09 171.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 -29.16 8.52 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.8 mt-10 -57.04 -38.72 73.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 1.9 mm-40 -94.69 -26.95 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -83.43 -5.06 59.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.7 OUTLIER -71.88 -57.13 4.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.7 Cg_endo -74.91 -39.15 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.548 ' CE2' HD22 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -58.28 -68.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.62 -33.92 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.18 -35.75 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.29 -35.19 63.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.28 -15.86 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -19.27 58.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.55 -43.68 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.15 -13.42 36.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -64.59 -11.89 39.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' TYR . 1.6 ttpt -117.22 -56.56 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -43.14 -26.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.2 t80 -57.5 -15.45 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -86.87 -36.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.419 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -57.72 -44.59 86.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.21 -29.31 60.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.7 -32.84 72.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.28 -47.01 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -44.77 72.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' CD1' ' HB1' ' A' ' 20' ' ' ALA . 2.3 t80 -51.06 -49.47 60.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -74.15 -29.95 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.61 -25.81 63.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 88' ' ' TYR . 69.3 p -92.01 -20.5 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -61.23 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.527 0.203 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER -176.84 117.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.9 p -92.23 152.52 42.58 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -168.07 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.88 142.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.17 115.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.229 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.46 2.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 -174.42 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 170.0 2.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 -176.69 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -158.32 174.42 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 1.2 m -150.97 163.96 37.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.2 ttp180 -142.62 169.72 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 -178.0 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -143.44 -57.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.81 174.92 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.34 162.38 19.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.445 1.761 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 6.0 p30 -69.29 76.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . . . -120.13 129.05 25.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.89 159.99 41.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -132.5 36.64 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.8 -171.43 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.691 ' CB ' ' CD2' ' A' ' 81' ' ' TYR . . . 68.68 88.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.18 172.74 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -77.3 145.53 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.928 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.52 -33.57 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -68.6 -44.67 73.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -58.52 -30.81 67.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.5 m-85 -67.79 -53.41 27.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -76.43 -20.22 57.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.63 -51.05 8.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.1 -27.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 7.0 mm-40 -98.33 -33.38 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.596 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -92.38 23.12 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -106.86 14.68 26.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 41' ' ' SER . 27.0 m-20 -120.31 -36.56 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 1.192 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.13 -43.67 89.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -87.41 -42.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 61.4 ttt85 -62.41 -25.37 67.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.078 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 28.5 t -76.54 -32.43 58.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -90.98 -6.62 53.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.466 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -146.81 62.08 7.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.02 -4.55 15.56 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.427 1.751 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -13.98 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 31.8 pt -110.6 -168.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 46' ' ' ILE . 22.4 p -156.34 -176.56 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -38.92 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -45.46 -44.32 11.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.81 0.5 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.65 -42.85 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.19 -17.75 68.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -0.76 57.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -111.26 -35.33 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 35' ' ' ASN . 9.7 mt -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.21 -30.33 54.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.11 -26.6 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.7 mttm -81.37 -34.85 31.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 59.8 t-105 -61.49 -51.84 66.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -66.6 -28.45 68.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.34 -0.95 57.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -82.25 4.6 22.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.71 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.6 t 54.1 159.15 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 0.36 9.0 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.9 mm-40 -86.86 -27.37 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.452 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.49 -30.69 13.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.02 -26.72 33.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.49 -56.81 11.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.41 1.742 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.68 -56.17 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -63.27 -34.62 78.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.3 67.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -77.81 -37.47 48.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.37 -15.31 62.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -16.41 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.69 -46.99 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -22.52 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -71.26 -6.53 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -109.21 -39.77 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -13.86 61.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CD2' ' CB ' ' A' ' 24' ' ' ALA . 4.0 t80 -82.29 -17.02 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -80.39 -18.47 48.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -69.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 69.9 mm-40 -61.97 -31.54 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.214 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.75 70.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.213 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -50.09 75.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -47.02 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 20' ' ' ALA . 1.8 t80 -58.06 -57.05 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -54.08 -29.91 46.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -83.9 1.03 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.49 99.6 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.478 0.18 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.79 124.79 44.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -103.45 142.14 23.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.05 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.69 155.04 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -128.32 124.93 23.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -172.31 164.69 5.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.61 175.59 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.22 175.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.9 m -156.96 141.37 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -130.62 161.11 32.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -178.77 154.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -176.34 159.21 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -172.24 2.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 177.96 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.51 150.33 65.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.4 p-10 -65.82 76.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.57 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -130.77 152.36 80.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.09 132.66 15.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.1 101.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -69.05 102.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.73 168.49 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -82.93 149.93 26.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.446 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -42.65 -30.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 26' ' ' SER . 14.2 t80 -67.82 -46.12 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.1 mpp? -57.0 -33.51 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 74' ' ' ALA . 51.3 m-85 -65.24 -57.79 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.83 -24.21 66.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.56 -51.14 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.49 -28.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.3 mm-40 -98.87 -36.18 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.681 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.9 OUTLIER -92.64 28.3 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.218 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.86 -13.28 24.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.2 m-20 -116.0 -10.48 11.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 72.0 mt -74.54 -34.27 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -85.52 -43.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -58.18 -31.96 67.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -64.24 -38.78 92.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.62 -9.03 53.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -145.62 62.72 8.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.98 -0.76 10.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -12.16 40.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 HG12 ' CB ' ' A' ' 43' ' ' ASN . 13.9 pt -114.73 -174.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 49' ' ' GLY . 22.6 p -148.49 -177.15 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -42.42 -27.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -47.14 -40.28 13.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.88 3.71 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 110.378 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.05 -46.51 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.07 80.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -103.96 14.06 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -41.21 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 8.4 mt -50.68 -37.99 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.73 -29.29 12.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.41 -30.53 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' LEU . 22.9 mttt -78.9 -35.87 42.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.425 ' CE3' HD21 ' A' ' 62' ' ' LEU . 67.5 t-105 -59.23 -52.36 66.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -29.03 69.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.68 -7.24 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 31' ' ' PHE . 2.9 tp -73.78 -4.54 35.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.601 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 52.35 171.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.94 -29.0 8.79 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.7 mt-10 -57.92 -36.94 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 69' ' ' PRO . 10.0 mm-40 -96.4 -27.78 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -4.35 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -71.95 -57.32 4.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.04 -39.37 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.561 ' CD2' HD22 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -57.32 -66.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.36 -38.44 66.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.73 -31.95 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -76.66 -35.7 57.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.571 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . . . -73.95 -17.13 61.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -21.28 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.72 -45.63 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -20.93 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -23.56 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -38.94 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -45.83 79.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 21' ' ' PRO . 69.0 t80 -58.52 -16.54 15.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.63 -19.5 23.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 p -83.01 -45.04 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.073 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.56 -36.36 73.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -37.48 80.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 tt0 -56.81 -43.11 80.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.3 -47.29 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.57 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 2.3 t80 -58.58 -44.05 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -74.93 -32.69 61.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -69.34 -37.6 77.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.7 t -81.0 -6.27 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.2 99.57 7.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.525 0.202 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.42 178.86 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 m -152.95 135.6 9.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.365 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -173.32 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.16 -177.52 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -149.92 122.81 4.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.02 176.68 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.11 -179.34 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.67 177.86 10.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -143.03 142.67 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -111.18 131.18 55.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -104.68 152.04 22.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -123.07 171.0 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -167.29 168.72 13.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -172.54 179.44 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.36 161.98 27.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -159.77 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 2.0 p-10 -68.74 76.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB3' ' CG ' ' A' ' 88' ' ' TYR . . . -141.57 142.55 26.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.158 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.98 107.73 2.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 43.84 48.48 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 81' ' ' TYR . . . 42.24 36.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 30.6 mt 53.42 172.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -135.12 149.53 50.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.93 -30.15 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.51 -37.23 79.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.448 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 3.2 ttm -77.33 -19.52 56.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -72.27 -47.65 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -83.64 -20.67 33.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -78.13 -45.37 23.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -43.12 -28.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.1 mt-10 -99.58 -34.93 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.9 m-80 -91.64 26.22 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.99 -17.62 24.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.17 -13.89 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.02 -35.15 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -83.82 -43.31 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -37.1 71.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -63.87 -30.76 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.13 -5.46 40.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.48 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -152.68 61.48 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 -0.26 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -90.4 -17.47 27.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.501 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 39.3 pt -106.24 -169.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -144.05 -176.06 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.466 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 18.3 t80 -55.11 -29.48 57.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.33 -29.29 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.05 4.82 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 0.74 . . . . 0.0 110.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG2' ' CD1' ' A' ' 46' ' ' ILE . 2.9 t -109.55 -39.52 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -81.79 -15.09 76.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -105.94 13.89 28.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -116.5 -37.42 3.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -50.74 -27.75 7.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -26.37 53.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.98 -29.85 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 9.2 mttm -78.61 -37.7 41.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.544 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 47.6 t-105 -58.56 -55.27 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -62.58 -28.38 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.3 7.65 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 63' ' ' THR . 3.0 tp -85.23 8.14 19.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.678 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.6 t 53.68 157.95 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.678 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.574 1.828 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.461 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.4 mm-40 -89.72 -23.96 21.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.2 mm-40 -99.34 -28.91 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.233 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 1.1 ttpp -82.72 -33.1 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -43.65 -55.47 8.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -75.04 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.622 1.853 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -46.6 -55.28 7.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -62.68 -34.92 78.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.72 -28.98 69.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -39.86 59.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -66.16 -16.95 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -14.57 60.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.23 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -20.87 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -24.35 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -87.98 -50.27 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -51.59 -37.11 48.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD2' ' HB1' ' A' ' 24' ' ' ALA . 5.7 t80 -61.64 -12.52 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.28 -19.0 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.3 m -87.1 -44.34 11.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.12 -33.37 75.3 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -58.44 -30.45 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.49 -52.45 63.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.59 -46.73 89.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.507 ' CG ' ' HB3' ' A' ' 20' ' ' ALA . 7.0 t80 -59.81 -56.64 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -56.39 -31.88 64.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.24 -16.41 63.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.75 -16.07 40.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 2.7 pp -145.58 69.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.517 0.199 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 p -171.38 119.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -126.52 158.51 67.23 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 18.5 Cg_endo -74.98 56.44 4.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mtm180 164.11 97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.99 164.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.52 -65.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -59.59 -68.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 65.33 20.57 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 m -79.68 -62.8 1.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -96.29 126.38 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 144.06 8.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 163.72 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.98 155.56 39.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 121.5 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.72 143.21 46.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.02 -159.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.566 1.824 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 2.4 p-10 -65.85 76.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . . . -112.78 169.0 6.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HG3' ' CA ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -75.07 158.07 42.13 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -81.33 124.1 29.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.17 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.513 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -62.53 89.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mp -45.44 161.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.9 155.36 21.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.65 -30.64 9.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -65.53 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 111.067 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mmt -71.09 -34.42 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -62.77 -52.83 61.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD1' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.58 -18.53 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.29 -42.65 22.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.88 -19.2 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.66 -33.52 8.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -91.62 20.8 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -2.91 49.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.66 -19.51 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -70.36 -37.81 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -81.86 -54.87 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -49.22 -31.41 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -73.33 -36.91 66.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.28 -10.87 51.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' O ' HG12 ' A' ' 46' ' ' ILE . 8.4 p30 -152.13 68.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 1.41 7.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.69 -21.81 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 43' ' ' ASN . 43.2 pt -102.45 -177.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 12.5 p -148.73 174.27 12.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' THR . 19.4 t80 -37.92 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -41.16 -41.83 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -124.95 -20.37 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 46' ' ' ILE . 3.8 t -67.65 -37.75 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.6 -17.88 72.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -105.13 16.2 26.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 0.723 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -41.68 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 58' ' ' LYS . 5.5 mt -42.82 -38.04 2.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.06 -27.79 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.78 -39.22 61.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.3 mmtt -71.62 -31.58 67.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CZ3' ' CD1' ' A' ' 62' ' ' LEU . 57.9 t-105 -62.75 -62.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -53.41 -24.4 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.64 -24.79 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.631 ' CD1' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -65.55 -11.3 42.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.48 174.18 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.01 -12.31 21.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.37 -44.78 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.7 mm-40 -87.51 -25.38 23.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.46 -25.76 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -47.94 -56.79 12.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.486 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.0 -48.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -49.56 -59.04 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.8 -34.53 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 68' ' ' GLN . . . -53.66 -36.26 61.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -74.57 -36.8 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -74.56 -14.76 60.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -21.27 56.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.59 -46.2 17.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -19.85 65.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -66.13 -28.85 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.81 -40.6 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -44.63 93.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 8.5 t80 -66.88 -7.87 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -51.77 68.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -24.8 64.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.405 ' CA ' ' HG3' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -66.97 -26.76 66.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -50.25 74.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -46.48 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.177 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 3.9 t80 -55.04 -47.56 74.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -73.01 -22.41 60.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.1 -22.72 55.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 t -89.13 -5.69 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.1 mt -90.62 173.9 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -179.979 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 m -98.13 -167.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.46 99.91 2.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 160.75 39.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 ptt85 -153.36 -175.56 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.07 104.17 0.21 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.247 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -155.27 -176.5 5.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.86 -173.55 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 174.87 174.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -141.3 158.82 43.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -133.39 173.28 11.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -152.09 174.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.64 149.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -162.66 155.63 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 -179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.49 159.83 35.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.9 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.8 p-10 -65.74 76.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.376 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.555 ' CB ' ' CE1' ' A' ' 88' ' ' TYR . . . -136.38 153.96 76.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 143.32 29.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.426 1.75 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -70.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 172.94 86.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 81' ' ' TYR . . . -40.8 116.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.62 159.76 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.62 152.78 27.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -49.52 -30.67 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.52 -31.39 72.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.26 -44.81 74.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.79 -43.56 90.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE1' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.02 -23.93 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.43 -57.33 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.209 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.42 -26.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.2 mm-40 -92.1 -42.75 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -92.58 26.88 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -91.04 -4.73 56.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.35 -24.39 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 22.5 mt -61.04 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -88.2 -46.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -27.05 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -69.93 -18.85 63.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.08 -16.09 13.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.552 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 16.2 p30 -138.92 57.45 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -9.59 59.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 2.2 pp -130.08 175.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . 40.2 p -130.26 -172.81 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -39.84 -27.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -46.36 -32.07 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.466 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -136.43 9.62 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -102.9 -45.1 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -64.02 -24.71 68.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -0.09 52.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 0.718 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 39' ' ' VAL . 3.6 tttt -111.88 -25.1 9.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.99 -27.38 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.1 85.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -61.86 -27.64 68.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 0.735 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 2.6 mmtt -81.62 -33.09 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 65.5 t-105 -62.07 -49.43 76.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -30.17 69.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.25 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -77.84 1.15 21.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.671 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.4 t 54.12 157.65 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.671 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.98 0.33 9.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.42 1.747 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.47 ' H ' ' CG2' ' A' ' 63' ' ' THR . 0.4 OUTLIER -89.5 -22.16 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.0 mm-40 -103.84 -31.01 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.527 ' HD2' ' CE2' ' A' ' 59' ' ' TRP . 24.0 mtmt -80.54 -33.35 36.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -39.9 -56.99 2.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.02 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.47 -61.06 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LYS . 35.4 tt0 -53.35 -39.67 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.47 -30.18 60.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -76.36 -35.88 58.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 27' ' ' ALA . . . -74.89 -18.72 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -20.8 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.53 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -18.98 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -74.66 -25.63 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -35.32 19.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -46.64 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CD1' ' HB1' ' A' ' 24' ' ' ALA . 76.5 t80 -56.01 -17.97 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.78 -19.57 25.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.8 -46.4 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.51 -34.43 72.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -61.09 -36.12 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -49.13 78.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.06 -46.71 67.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' ' CB ' ' A' ' 20' ' ' ALA . 2.8 t80 -56.43 -46.41 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -74.64 -20.23 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.337 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.67 57.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.4 t -98.99 16.71 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 110.43 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.35 -60.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.563 0.221 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 m -116.62 156.67 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 t -171.5 66.65 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 155.86 42.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 144.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.53 92.36 0.2 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 177.33 8.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -170.31 154.01 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.91 156.06 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 175.89 143.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.565 ' CG2' HH21 ' A' ' 13' ' ' ARG . 3.2 m -162.35 122.16 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -142.31 129.12 20.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.565 HH21 ' CG2' ' A' ' 11' ' ' THR . 3.2 ptp180 -161.29 139.67 9.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttm 175.94 174.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.92 155.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.87 163.06 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 173.27 142.17 0.16 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.432 1.754 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 2.1 p-10 -68.78 77.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.571 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -130.67 148.16 68.98 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.93 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 50.53 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 62.81 117.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 81' ' ' TYR . . . -79.37 55.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mp 54.68 170.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -120.47 155.71 32.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.32 -28.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 6.1 t80 -65.55 -45.54 82.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 tpp -64.86 -32.01 73.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -62.24 -45.21 94.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -81.52 -24.68 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -79.33 -49.8 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -41.28 -29.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -100.74 -32.63 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.2 m-80 -95.12 29.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -96.89 -13.31 22.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.7 m-20 -117.39 -7.4 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 59.0 mt -76.63 -34.02 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -84.91 -45.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 8.5 ptm180 -56.04 -30.21 61.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -40.29 92.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.0 -5.44 58.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.488 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -148.87 61.62 5.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.382 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.93 -1.61 11.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.053 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.27 -15.47 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG12 ' CB ' ' A' ' 43' ' ' ASN . 35.1 pt -109.08 -169.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.9 p -146.18 -175.56 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 19.7 t80 -52.94 -33.64 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.72 -37.52 2.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.68 -21.09 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 t -77.37 -47.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -72.03 -16.45 76.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 16.14 26.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -125.31 -43.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 8.9 mt -44.28 -41.12 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.02 -33.95 22.6 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.68 -31.51 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 6.7 mmtt -79.13 -40.72 30.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 73.1 t-105 -53.98 -43.15 69.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.87 57.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.51 4.47 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.54 ' O ' ' O ' ' A' ' 63' ' ' THR . 1.6 mp -80.38 3.79 20.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.645 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.3 t 53.21 156.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.645 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.04 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.461 ' H ' ' CG2' ' A' ' 63' ' ' THR . 1.8 mm-40 -87.95 -26.78 22.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -104.15 -27.87 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -33.55 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.481 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -40.6 -56.08 3.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.04 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -57.4 4.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.15 -36.4 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.59 -29.98 53.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -43.05 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.46 -21.3 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -16.72 60.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.44 20.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -16.12 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -63.55 -22.43 66.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.31 -37.84 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 4.5 ttm105 -71.4 -30.59 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 2.8 t80 -69.25 -9.18 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.22 -20.24 32.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -51.92 65.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.47 -22.75 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -72.02 -28.6 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 24.7 tt0 -60.61 -46.68 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -67.6 -47.94 68.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.571 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 3.7 t80 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -70.1 -23.46 63.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -82.77 -29.11 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -86.95 3.37 46.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.69 -63.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.572 0.225 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 3' ' ' THR . 10.8 m -123.99 165.0 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 2' ' ' VAL . 52.5 p -153.6 88.0 3.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.56 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -176.39 160.51 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER 174.71 101.21 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.56 158.04 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 156.53 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 179.72 156.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -173.48 172.15 3.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 4.2 m -138.58 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.3 tpm_? -163.46 113.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -115.01 152.41 32.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.45 -175.63 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 26.4 pttt -108.27 -50.02 3.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 4.7 m-20 64.54 150.58 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -159.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -68.22 77.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -130.22 153.49 81.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.42 20.29 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.23 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -41.86 101.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.5 mt -52.52 168.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -98.91 150.21 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.16 -29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' SER . 4.3 t80 -65.32 -49.64 68.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.5 mpp? -56.23 -36.25 68.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -75.47 -29.87 59.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -76.46 -53.7 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.81 -27.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' ALA . 30.2 tt0 -98.84 -37.58 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.611 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -93.91 30.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.91 -14.04 35.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.508 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m-20 -117.04 -9.51 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 70.8 mt -73.41 -34.07 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -85.19 -46.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.508 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 ptm180 -57.13 -33.08 67.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -64.89 -37.79 88.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.42 -6.75 54.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.463 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.3 OUTLIER -148.38 62.78 6.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.0 Cg_endo -75.03 0.18 9.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.799 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -12.76 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 51' ' ' VAL . 19.4 pt -113.33 -179.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 49' ' ' GLY . 7.6 p -142.57 177.37 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -40.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -44.92 -44.72 8.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -1.98 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -86.25 -49.88 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.25 -14.2 76.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.068 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.92 14.23 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -120.98 -41.5 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 39' ' ' VAL . 11.0 mt -49.19 -36.47 19.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.35 -29.29 37.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.62 -28.79 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 39.4 mttm -79.54 -36.38 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 48.8 t-105 -60.89 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -67.31 -24.05 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.24 5.83 50.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 31' ' ' PHE . 1.4 tp -82.12 6.04 17.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 67' ' ' LYS . 0.1 OUTLIER 52.13 171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.491 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' O ' ' HB3' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.555 1.818 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.3 mt-10 -83.58 -21.75 32.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.766 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -119.51 -11.5 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.365 1.041 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.577 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -92.39 -27.12 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.793 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.8 pt20 -74.89 -32.82 1.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.04 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 1.7 m-85 -61.39 -48.41 81.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 19.3 tt0 -60.52 -33.27 72.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.94 -34.18 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -36.7 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.88 61.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -18.46 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.94 -45.91 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.93 -21.96 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.5 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -38.52 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -44.57 93.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -56.65 -17.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.67 -18.96 29.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -73.34 -41.27 63.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.94 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.99 -18.67 46.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -30.11 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -60.35 -50.59 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -63.69 -48.61 76.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.562 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 3.7 t80 -54.69 -49.28 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -63.34 -29.32 70.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.41 -22.44 62.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.1 -20.24 41.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.23 173.38 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.952 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.511 0.196 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.71 110.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -92.91 158.34 37.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.363 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.22 39.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -123.37 -56.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.23 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 176.76 147.96 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 18.3 Cg_endo -74.98 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.8 mmtt 170.52 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -73.12 -176.42 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.91 159.14 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -146.0 174.19 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -130.37 134.26 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.81 130.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -160.58 79.87 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 176.7 111.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttp 40.67 80.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.49 167.29 17.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.385 1.729 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -64.23 76.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.569 ' HB3' ' CD2' ' A' ' 88' ' ' TYR . . . -119.11 169.14 8.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.96 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.82 106.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.222 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.95 120.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.35 167.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.12 154.73 17.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.44 -30.82 13.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -63.24 -32.11 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.24 -48.91 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 74' ' ' ALA . 81.7 m-85 -52.07 -39.51 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.579 ' CE1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.5 -25.47 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -78.15 -48.35 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -44.75 -27.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 4.7 tt0 -101.64 -32.75 10.19 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.556 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.5 m-80 -99.81 33.91 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.9 mmt180 -107.88 3.78 24.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.86 -39.67 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.03 -36.52 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.72 -42.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.62 -30.91 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 t -72.31 -33.53 67.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -87.83 -8.86 55.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 110.238 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -147.9 63.41 7.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.243 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -11.3 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -108.23 -175.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 46' ' ' ILE . 62.3 p -127.62 -172.22 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 8.4 t80 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.29 -7.91 47.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -117.12 -11.77 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.72 -44.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.92 69.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -4.85 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 109.247 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.29 -42.44 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 35' ' ' ASN . 8.5 mt -48.91 -38.91 24.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.13 -26.09 48.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.82 -29.98 56.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -82.09 -31.75 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.901 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -63.05 -48.16 79.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -71.23 -26.97 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.35 4.38 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.579 HD23 ' CE1' ' A' ' 31' ' ' PHE . 1.1 mp -83.14 -2.74 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.644 ' CG2' ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 55.2 167.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.6 Cg_endo -75.03 15.3 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.644 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.0 mm-40 -97.16 -41.08 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 40.1 mm-40 -89.25 -25.06 21.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLU . 10.0 ttpt -84.98 -38.61 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 2.1 mt-30 -39.62 -54.04 4.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.463 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.3 Cg_endo -75.04 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -51.1 -59.03 4.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -52.71 -41.31 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.35 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -71.88 -35.75 69.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -76.3 -13.98 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -73.9 -25.82 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -41.83 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.601 1.188 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -22.9 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -30.42 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -86.4 -35.6 19.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.52 -40.85 88.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -56.47 -17.23 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -76.79 -19.42 57.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 p -56.26 -50.91 70.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.958 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.67 -16.35 59.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.486 ' CA ' ' HG3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.316 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 61.6 mt-10 -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.95 -45.74 33.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 20' ' ' ALA . 3.6 t80 -56.44 -53.88 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.14 -15.5 56.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -75.09 -27.58 59.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.55 -59.62 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.38 1.05 . . . . 0.0 109.306 179.972 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.529 0.204 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.99 143.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 m -122.57 81.44 47.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -178.57 128.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.2 115.33 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.04 2.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.64 141.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.8 178.41 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.74 161.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -169.56 140.55 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -148.55 157.95 43.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -175.77 168.45 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 -177.61 4.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -144.33 80.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 118.14 29.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -151.18 147.96 21.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -159.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 2.1 p-10 -67.56 77.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -132.87 152.84 80.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -75.06 114.86 4.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -66.83 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 5.2 ptt180 170.78 115.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . -39.62 122.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -45.76 165.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.89 154.5 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.06 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.56 13.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.76 -32.14 73.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mmt -69.61 -47.71 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -52.88 -42.3 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CE1' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -78.45 -29.74 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -73.8 -52.16 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.91 -23.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -38.81 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.7 m-80 -96.18 30.73 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 1.4 tmm_? -92.64 -15.2 27.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -116.22 -10.76 11.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 73.2 mt -71.85 -34.98 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -84.82 -46.74 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.3 ptm180 -56.19 -33.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.4 t -63.74 -34.19 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -93.56 -6.05 47.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -148.41 61.95 6.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.98 0.41 8.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -14.56 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.482 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 36.8 pt -110.18 -171.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -142.18 -175.81 4.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.552 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 3.1 t80 -54.96 -30.13 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.78 -36.86 6.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.482 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.55 -21.99 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.272 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' CG2' HD13 ' A' ' 46' ' ' ILE . 2.0 t -76.71 -49.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -68.44 -17.73 70.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.44 15.39 28.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.17 -42.6 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 7.0 mt -46.43 -39.18 10.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.4 -29.8 17.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.448 1.092 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.6 -28.12 58.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 0.825 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 8.2 mtpt -80.78 -39.92 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.6 t-105 -56.75 -49.46 75.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -70.22 -26.09 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.28 8.4 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 31' ' ' PHE . 1.7 tp -84.76 4.23 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.514 ' CG2' ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 53.23 169.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.97 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.589 1.837 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.4 mt-10 -82.97 -22.51 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.259 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.781 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -118.68 -11.69 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 tttm -92.01 -27.15 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.787 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.5 pt20 -74.8 -32.52 1.34 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.06 -55.41 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -51.15 70.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.55 -33.55 72.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.62 -33.73 74.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 -12.92 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.64 59.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.6 -42.02 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -19.15 47.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.93 -25.3 68.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -34.16 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -67.1 -40.74 86.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.48 ' CE1' ' HB2' ' A' ' 21' ' ' PRO . 12.6 t80 -58.77 -14.99 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -82.93 -19.86 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -49.36 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -15.64 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 21' ' ' PRO . 2.4 tmtm? -80.41 -28.79 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.27 -50.84 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -46.56 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.556 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 6.7 t80 -57.35 -54.69 43.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.95 -33.13 75.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.86 -26.4 66.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -25.35 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -57.16 14.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.973 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.487 0.184 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.78 -177.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 4' ' ' PRO . 17.3 m -143.88 144.96 28.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 3' ' ' THR . 18.1 Cg_endo -74.96 162.54 37.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.97 145.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.43 103.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.04 147.59 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.91 136.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.61 158.28 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -157.44 144.32 18.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -138.75 132.19 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 151.68 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -170.7 176.82 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.7 -67.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.95 171.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.73 163.07 17.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -68.98 77.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -138.82 141.77 31.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.72 35.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -70.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ALA . 5.1 ttm180 179.71 40.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . 39.85 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.545 ' CB ' ' HE1' ' A' ' 29' ' ' MET . 1.3 mt -50.4 179.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -122.02 157.54 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.489 ' CA ' ' HB1' ' A' ' 74' ' ' ALA . . . -43.79 -27.25 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.511 ' HA ' ' CE2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.31 -57.47 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.545 ' HE1' ' CB ' ' A' ' 25' ' ' LEU . 5.8 tmm? -52.22 -45.74 65.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' CD2' ' HE2' ' A' ' 29' ' ' MET . 58.5 m-85 -50.11 -46.85 54.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.751 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -80.05 -17.57 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -80.76 -52.93 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' ND2' ' SD ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -42.47 -28.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 mm-40 -98.36 -32.98 11.24 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.9 m-80 -97.22 30.79 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -104.36 12.03 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.32 -38.55 2.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.408 1.067 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -57.79 -37.09 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.95 -43.64 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -58.34 -37.19 74.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -62.25 -43.56 98.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.63 -10.17 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.504 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 3.5 m-20 -138.52 60.09 19.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 1.51 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -18.16 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.1 pt -102.09 177.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -121.01 -169.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -65.95 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.92 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.63 -8.42 60.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.81 -13.75 10.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -82.91 -42.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.69 -20.76 70.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -79.62 -4.86 53.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 0.828 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -120.18 -46.87 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -48.73 -44.17 38.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.16 -31.8 8.88 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.01 -36.27 83.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -75.86 -29.93 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 31' ' ' PHE . 32.2 t-105 -61.49 -60.34 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -60.93 -24.25 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.99 -1.65 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.384 1.052 . . . . 0.0 109.254 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD21 ' CE3' ' A' ' 59' ' ' TRP . 3.1 tp -80.52 3.38 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.658 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER 52.84 168.61 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.01 -24.17 13.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.468 ' H ' ' CG2' ' A' ' 63' ' ' THR . 2.3 mm-40 -60.11 -37.75 80.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 4.5 mm-40 -91.87 -25.71 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -82.18 -14.96 54.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.52 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -59.35 -58.4 19.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.99 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.55 -58.31 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -59.05 -37.35 76.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.75 -24.06 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -82.51 -52.84 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.489 ' HB1' ' CA ' ' A' ' 27' ' ' ALA . . . -60.96 -17.27 50.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -16.62 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.47 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -16.19 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -62.32 -27.32 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -88.42 -26.91 21.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 2.2 mtp180 -69.95 -47.42 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.505 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 3.1 t80 -57.73 -15.44 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -34.66 16.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.84 84.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.32 -24.3 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -29.14 68.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -47.9 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.21 -46.9 66.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.607 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 3.3 t80 -54.74 -47.1 74.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -70.42 -39.1 74.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.04 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -31.3 48.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -61.59 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.78 174.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 t -47.64 147.8 2.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 121.82 6.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 154.55 39.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -128.56 89.73 48.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.44 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -170.11 61.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -171.18 169.94 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.06 105.01 17.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -163.75 148.02 10.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -129.3 98.69 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.77 125.3 39.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -179.96 98.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -151.74 -63.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -71.54 77.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.226 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.24 91.28 0.93 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' C ' ' ND2' ' A' ' 19' ' ' ASN . 18.1 Cg_endo -74.98 -158.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 18' ' ' PRO . 5.3 p30 40.29 72.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.24 155.01 43.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.34 14.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.71 34.57 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 62.36 92.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' HB1' ' CG ' ' A' ' 81' ' ' TYR . . . -54.48 130.87 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.98 169.69 8.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -90.22 145.72 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 74' ' ' ALA . . . -40.83 -30.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' SER . 12.6 t80 -67.87 -47.46 68.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 mpp? -62.0 -31.08 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 74' ' ' ALA . 27.2 m-85 -62.5 -54.88 33.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -26.33 58.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.68 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.1 m-80 -48.94 -24.88 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -106.41 -29.86 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.0 OUTLIER -93.9 28.27 2.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' NE ' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.46 -16.68 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.2 m-20 -117.61 -8.23 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 62.5 mt -74.69 -34.1 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -85.21 -45.87 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 7.9 ptm180 -57.03 -33.23 66.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -60.74 -37.94 83.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.58 -11.3 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.52 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -141.5 59.29 9.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.03 6.21 3.54 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -21.94 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.608 ' C ' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -97.55 -177.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.509 ' N ' HG12 ' A' ' 46' ' ' ILE . 33.3 p -124.73 -179.23 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 1.1 t80 -60.86 -18.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.87 -13.14 83.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -117.05 -18.29 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.9 t -89.29 -44.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.57 -18.77 75.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.48 16.89 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' GLU . 2.8 mttp -129.17 -43.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 5.1 mt -42.44 -45.49 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.96 -35.84 8.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mt-10 -66.59 -30.02 70.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' LEU . 17.5 mmtt -78.85 -40.9 31.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.428 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 63.9 t-105 -53.94 -45.23 71.18 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -73.88 -25.24 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.74 -7.42 58.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.9 mp -74.39 -2.03 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.56 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 52.38 169.97 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.458 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -74.98 -27.92 9.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' H ' ' CG2' ' A' ' 63' ' ' THR . 2.7 mt-10 -59.49 -45.89 90.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' OE1' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -90.44 -27.85 19.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 63' ' ' THR . 18.8 ttpt -83.37 -6.22 59.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.5 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.5 mt-30 -67.54 -57.06 10.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.92 -41.34 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.619 ' CD2' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -53.26 -61.69 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 29.5 tt0 -63.34 -35.35 80.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.12 -26.97 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -79.59 -41.91 26.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.562 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . . . -69.17 -18.1 63.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -21.89 57.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.242 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -40.73 44.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.45 -12.67 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -72.69 -26.9 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.0 -11.08 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -26.41 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.434 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 41.3 t80 -78.9 -17.23 55.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.01 -19.2 25.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -48.92 15.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -32.74 69.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -64.06 -36.68 84.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -53.99 -37.59 64.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -47.35 16.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -59.08 -39.45 82.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.19 -42.77 59.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.74 62.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.99 -32.22 39.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 92' ' ' LEU . 3.0 pp -121.37 61.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.911 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.496 0.189 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -99.27 136.8 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -126.06 88.52 54.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.346 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 169.84 132.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.08 85.66 2.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 160.06 40.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 174.23 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tptt -97.4 66.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.29 130.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 t -150.11 131.22 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 12' ' ' THR . 6.5 t -113.58 47.48 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.38 172.14 7.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 5.2 pttm -97.39 -38.66 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 12.7 mttt 66.29 149.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -76.4 178.22 6.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.09 144.86 25.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.6 p-10 -65.49 77.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB3' ' CD1' ' A' ' 88' ' ' TYR . . . -119.12 176.02 1.91 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.02 151.87 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -86.61 47.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' CG ' ' C ' ' A' ' 22' ' ' LYS . 7.1 ptm180 38.1 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 81' ' ' TYR . . . -61.1 143.48 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -102.03 166.91 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -91.97 151.59 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.96 -30.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' N ' ' C ' ' A' ' 26' ' ' SER . 11.9 t80 -64.54 -50.07 68.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.9 mpp? -55.69 -40.87 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -55.64 -51.48 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -72.01 -22.8 61.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' MET . 27.7 m120 -56.84 -20.21 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -102.75 -39.15 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.617 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.1 m-80 -95.46 28.86 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -16.47 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -10.58 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 86.8 mt -69.72 -35.19 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -84.45 -43.26 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -33.74 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -64.03 -34.33 77.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.73 -7.63 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.449 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -149.83 63.64 6.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.04 0.4 8.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.11 -11.18 39.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.449 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.2 pt -115.88 -173.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -150.44 -178.74 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.02 -27.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.35 -40.48 10.9 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.381 1.051 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.3 5.51 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.5 -38.16 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.32 76.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 10.95 40.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 5.0 mmtt -112.31 -26.07 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 39' ' ' VAL . 15.7 mt -72.4 -24.82 61.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.65 95.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' LEU . 20.2 mttm -84.08 -34.97 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 49.6 t-105 -61.44 -52.17 65.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -26.89 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -93.87 10.27 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 31' ' ' PHE . 1.2 tp -87.59 16.39 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.711 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 1.3 t 53.06 159.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.711 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.88 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' H ' ' CG2' ' A' ' 63' ' ' THR . 4.0 mt-10 -84.47 -20.54 31.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.781 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.2 mm-40 -116.53 -13.59 10.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.53 -26.26 18.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.796 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 7.1 pt20 -75.15 -31.9 1.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.09 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -41.46 93.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 111.054 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -68.8 -33.0 73.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.14 80.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -76.16 -39.37 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -12.95 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -22.58 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.18 -33.93 24.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -21.06 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -71.64 -26.28 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -87.54 -41.64 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -47.57 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.536 ' CD1' ' HB1' ' A' ' 24' ' ' ALA . 91.8 t80 -56.4 -18.21 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.83 -19.7 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -46.29 17.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -71.44 -30.74 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.77 -35.34 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 3.0 tt0 -60.37 -24.94 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.3 -45.45 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.572 ' CD1' ' HB3' ' A' ' 20' ' ' ALA . 3.1 t80 -58.1 -43.39 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -69.58 -30.42 68.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.36 -22.16 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -66.36 -34.01 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.05 44.04 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.943 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.503 0.192 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.93 138.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.479 ' O ' ' CG2' ' A' ' 3' ' ' THR . 11.8 t -172.73 86.4 0.41 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.43 27.06 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -177.08 125.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -171.75 114.02 0.41 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 177.63 8.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -173.93 140.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 123.52 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 179.79 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -111.67 44.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.3 m -60.93 114.37 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 90.24 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 137.64 43.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.28 69.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 93.13 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.16 147.71 50.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -159.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.5 p-10 -67.26 77.41 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . . . -134.86 151.08 74.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.91 13.66 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -51.18 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 3.7 mtp180 161.68 96.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.52 112.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.9 mp -60.21 166.13 3.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -94.34 152.16 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.934 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . . . -41.42 -29.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 8.5 t80 -66.55 -47.27 73.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.7 mpp? -65.11 -30.05 70.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 19.7 m-85 -61.39 -49.14 78.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.5 -26.69 45.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -76.49 -50.4 14.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 1.1 m-80 -40.98 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.3 mt-10 -100.39 -31.5 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -95.13 29.08 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 4.2 ttp180 -103.66 8.41 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -114.28 -30.34 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.51 -36.08 76.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.18 -47.32 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 1.1 ptm180 -57.61 -32.96 67.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -33.42 75.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -93.3 -7.15 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.47 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -147.56 61.75 6.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.94 -5.84 17.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.38 -13.77 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.452 HG13 ' CB ' ' A' ' 43' ' ' ASN . 2.2 pp -121.89 171.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLY . 69.4 p -131.46 -171.09 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 10.3 t80 -37.46 -31.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.78 -43.92 1.77 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.75 -4.11 9.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -90.72 -46.9 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -72.32 -8.6 70.96 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -107.65 8.25 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -122.85 -42.81 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' LYS . 6.9 mt -52.14 -41.16 62.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.513 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -47.7 -34.47 10.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.06 -33.33 75.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttt -76.47 -32.85 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.445 ' CH2' ' HB3' ' A' ' 27' ' ' ALA . 70.3 t-105 -60.61 -49.01 79.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 107.964 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -65.8 -28.53 69.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.43 6.56 48.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.624 ' CD2' ' CD1' ' A' ' 31' ' ' PHE . 3.7 tp -78.29 -2.32 37.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.664 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.6 OUTLIER 52.91 167.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.664 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -22.79 14.37 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.468 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.6 mm-40 -63.49 -34.47 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.485 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.02 -25.78 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' CE ' ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.02 -28.59 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 1.3 mt-30 -46.49 -55.92 12.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.0 -47.04 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -55.33 -72.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' CB ' ' HG2' ' A' ' 67' ' ' LYS . 10.8 tt0 -46.35 -42.28 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 75' ' ' GLN . . . -63.97 -47.5 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.08 -24.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 72' ' ' ALA . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.836 HE21 ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -70.68 -6.17 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.836 ' N ' HE21 ' A' ' 75' ' ' GLN . . . -102.98 -54.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.94 -24.48 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.87 -28.83 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 -36.22 28.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -64.11 -44.37 92.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.01 -19.67 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.46 -20.38 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -47.14 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -20.7 52.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.74 -30.64 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -60.2 -50.79 72.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.616 ' CD1' ' CB ' ' A' ' 20' ' ' ALA . 3.5 t80 -56.99 -49.31 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -71.54 -23.93 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.3 -13.98 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 -23.18 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 pp -106.45 -38.73 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.508 0.194 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.52 146.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.5 t -104.29 146.09 31.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 -164.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 111.051 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 179.57 171.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.68 120.85 0.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.64 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -135.76 154.04 51.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.78 128.34 16.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.36 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -156.27 151.6 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 t -132.01 -179.91 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 179.91 157.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -174.16 138.72 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -105.4 -171.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -162.96 151.6 14.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.44 111.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -159.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 19' ' ' ASN . 1.9 p-10 -69.84 78.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.57 ' HB1' ' CE1' ' A' ' 88' ' ' TYR . . . -134.23 142.94 44.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.3 Cg_endo -75.05 131.72 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.16 50.88 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 6.3 mtt180 58.61 114.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.43 104.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.211 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -42.29 159.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -90.52 155.09 19.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.38 -29.91 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.88 -30.51 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 mmt -74.0 -40.12 63.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -59.1 -44.14 91.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.65 -33.78 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' GLU . . . -71.83 -49.22 40.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -47.27 -23.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 32' ' ' ALA . 3.6 mt-10 -107.28 -29.08 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.544 ' N ' HD21 ' A' ' 35' ' ' ASN . 1.4 m-80 -96.36 31.14 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -99.6 -5.83 28.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.5 t0 -114.22 -32.7 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 13.0 mt -57.28 -32.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.62 -43.96 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -37.48 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -64.02 -40.85 97.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.54 -5.78 59.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.473 ' CB ' HG12 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -149.56 63.41 6.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.99 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.36 -16.1 29.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 37.2 pt -109.61 -177.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -145.85 179.96 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -45.24 -24.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.55 -49.69 7.05 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.425 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -118.62 -15.75 9.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' CG2' HD13 ' A' ' 46' ' ' ILE . 1.5 t -65.76 -42.67 92.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.78 14.77 27.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -119.37 -39.65 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -49.05 -31.51 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.58 -27.55 48.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.72 -32.09 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.312 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 mttm -78.33 -36.63 46.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.455 ' CE3' HD21 ' A' ' 62' ' ' LEU . 55.2 t-105 -58.46 -52.72 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.053 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.92 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.211 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -91.38 4.64 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 3.6 tp -80.08 1.87 26.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER 51.15 170.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.03 -27.02 10.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 63' ' ' THR . 4.7 mt-10 -61.59 -25.04 67.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.797 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 1.6 mm-40 -116.12 -14.03 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.06 -25.18 19.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.789 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 3.9 pt20 -75.43 -33.2 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.09 -53.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.34 -48.3 80.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 24.4 tt0 -61.71 -36.17 80.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.55 -33.6 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -74.37 -33.59 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -19.66 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 -47.08 12.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.27 -18.27 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -58.85 -29.4 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -89.34 -32.97 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.23 -41.81 98.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 23' ' ' ARG . 73.5 t80 -59.51 -14.09 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.92 -19.47 27.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -77.35 -61.44 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 109.899 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.14 -40.94 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.243 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -60.43 -35.9 76.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 6.4 tt0 -55.88 -43.96 77.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.81 -45.42 71.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.57 ' CE1' ' HB1' ' A' ' 20' ' ' ALA . 7.1 t80 -59.05 -54.29 48.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -58.47 -28.42 65.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.914 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.21 -12.72 61.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.52 -31.87 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 89' ' ' ASN . 2.1 pp -92.86 -37.66 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -90.75 153.38 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.72 -29.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 41.9 t80 -66.85 -48.69 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -55.1 -37.06 66.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.29 -51.74 66.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.08 -31.52 69.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.56 -53.63 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' NH2' ' A' ' 36' ' ' ARG . 1.9 m-80 -40.98 -29.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.8 mm-40 -99.11 -35.71 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.752 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.3 m120 -93.69 29.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -97.11 -9.32 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -111.63 -29.87 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mp -56.04 -40.63 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.38 -43.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HD2' HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.64 -28.13 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -73.87 -22.72 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.69 -8.27 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.589 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -148.31 61.68 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.08 -17.93 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.652 HD12 ' HG2' ' A' ' 50' ' ' GLN . 31.1 pt -106.41 -178.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.4 p -129.82 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 9.1 t80 -57.1 -27.5 61.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.33 -36.39 7.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.652 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -115.65 -23.01 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG11 ' HD2' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -74.0 -50.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.86 -15.05 73.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.55 13.01 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -41.66 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.1 mt -51.16 -34.01 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.28 -26.3 28.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.17 -29.66 38.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.47 -38.4 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 41.5 t-105 -58.5 -52.31 66.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.35 -27.76 68.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -87.79 -1.44 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.5 tp -78.58 0.82 24.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.651 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 56.64 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.99 -7.1 18.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.59 -40.74 48.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 4.9 mm-40 -87.25 -29.41 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -13.97 54.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -61.61 -56.99 27.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.01 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -54.59 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -57.88 -25.13 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -78.94 -40.85 30.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.65 -13.19 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -14.98 59.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -36.14 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.08 -17.63 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -55.0 -24.67 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 -41.07 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.35 67.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD23 ' SD ' ' A' ' 29' ' ' MET . 3.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -104.82 152.12 22.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.08 -29.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -66.76 -48.9 67.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -62.0 -51.55 67.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -33.39 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -74.15 -55.3 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -40.24 -29.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -95.7 -37.1 10.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.828 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.4 m120 -93.23 29.01 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -101.68 1.75 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.76 -36.76 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -55.23 -38.3 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.67 -42.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -55.93 -33.69 64.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -59.15 -42.31 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 mt-10 -86.4 -6.66 58.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.531 ' HB2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -147.66 62.73 7.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 0.73 8.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.2 -11.88 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.81 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.5 pp -121.37 167.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLY . 44.3 p -132.02 -173.63 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 6.2 t80 -37.68 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.184 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -36.82 -47.93 1.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -10.76 9.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.81 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.3 t -79.16 -45.68 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -77.24 -3.89 82.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -101.51 -7.3 22.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -116.41 -28.44 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.7 mt -62.99 -27.81 69.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.72 -34.21 87.82 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.582 1.177 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.53 -30.82 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.0 mmtt -78.22 -35.33 48.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -58.38 -49.82 75.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -66.02 -29.94 70.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.99 57.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tp -76.62 -1.85 29.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.852 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 55.78 168.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.96 -9.04 20.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.0 -45.13 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 35.0 mm-40 -85.52 -29.1 24.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -11.82 57.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -63.07 -57.48 20.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -60.07 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.43 -38.27 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -30.91 61.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -75.99 -37.92 57.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.85 63.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -19.65 60.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.64 -50.56 9.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -56.66 -19.0 14.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.3 -30.36 70.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.35 -42.5 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -59.78 -39.46 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 154.29 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.5 -30.19 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -30.82 71.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.2 -38.83 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 65.0 m-85 -60.79 -48.0 83.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.55 -29.94 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -75.54 -54.27 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -28.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -99.1 -32.19 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.737 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.9 m120 -97.71 31.43 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -103.96 10.79 36.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.19 -39.83 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -55.8 -39.02 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.637 HG21 ' HG ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -82.38 -42.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -30.64 66.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.1 mm-40 -90.97 -6.44 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.561 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -148.42 63.27 7.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 0.45 8.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -14.52 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -103.05 -172.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 46' ' ' ILE . 8.2 p -128.43 -168.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 9.8 t80 -67.33 -32.32 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.59 -8.53 67.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.03 -7.9 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 55' ' ' LEU . 2.1 t -95.22 -40.12 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' HA3' HH21 ' A' ' 36' ' ' ARG . . . -67.27 -21.62 72.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -9.49 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.6 0.823 . . . . 0.0 109.296 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 16.2 mmtt -111.31 -27.07 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.1 mt -76.29 -25.5 54.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.62 98.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 1.4 pt-20 -69.21 -26.04 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 4.6 mttp -80.99 -37.75 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 41.3 t-105 -58.82 -52.05 67.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.77 -29.28 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.54 1.35 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 2.1 tp -80.46 2.49 25.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.74 169.99 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.03 -9.67 20.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.9 -43.7 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 32.9 mm-40 -85.7 -27.42 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -12.76 56.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -62.75 -57.07 23.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -52.2 -59.79 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 4.8 tt0 -60.2 -34.59 73.84 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -77.79 -36.3 50.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.22 -15.24 61.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -21.83 56.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.46 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -60.68 -22.73 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -70.6 -24.81 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -42.67 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -37.13 69.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.926 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.6 154.56 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.43 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 2.6 t80 -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.404 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 11.8 mmt -72.88 -42.41 63.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -54.96 -44.17 74.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -78.49 -21.59 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.14 -47.8 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 29' ' ' MET . 30.2 m120 -48.74 -23.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -39.35 8.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.783 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.4 m120 -93.85 28.17 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.42 -11.59 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -110.66 -27.26 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 mt -55.7 -43.25 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -82.14 -42.75 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.93 -33.35 70.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ASP . 31.0 t -61.06 -35.88 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 3.9 mm-40 -93.75 -8.93 39.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.643 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -146.75 61.81 7.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.91 -17.95 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.498 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 45.9 pt -109.24 -167.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.8 p -148.07 -174.41 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.4 -33.42 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.24 -38.14 3.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.51 -14.95 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.22 -37.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -67.07 -31.99 79.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 0.46 27.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -29.71 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 35' ' ' ASN . 18.1 mt -76.29 -34.62 59.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.423 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -57.98 -46.12 92.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -63.71 -25.36 68.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.1 mmtt -80.12 -35.89 36.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.2 t-105 -60.79 -54.17 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.047 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -27.8 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.57 4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' LYS . 3.1 tp -82.54 5.83 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 54.52 166.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.98 -1.88 11.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.02 -39.15 21.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 10.8 mm-40 -85.3 -29.74 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -81.81 -24.56 35.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -49.62 -57.32 12.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -75.01 -49.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -52.57 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 111.081 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.75 -37.92 69.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.64 -28.51 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -77.85 -38.79 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -15.4 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -20.0 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.84 -50.62 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.17 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -26.95 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -84.35 -48.32 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.5 -37.84 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 29' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -97.56 153.16 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -29.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.98 -43.74 91.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 mtm -65.92 -34.12 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -59.6 -46.94 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -17.04 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -85.64 -48.38 8.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -40.89 -29.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -99.79 -33.83 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.245 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.755 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.9 m120 -96.47 31.92 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 18.2 tpp180 -98.75 -6.51 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 57.9 m-20 -110.85 -25.15 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.6 mp -64.05 -38.32 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG21 ' HG ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -83.02 -46.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -54.97 -33.03 62.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.9 t -67.0 -31.49 72.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.71 -6.55 45.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.618 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -148.19 61.96 6.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -18.93 29.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.3 pt -102.81 -168.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.2 p -129.8 -168.82 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 15.6 t80 -68.57 -38.4 80.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.69 -8.69 48.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.578 1.173 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.89 -10.97 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.98 -42.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.37 -14.83 67.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -4.01 55.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 -43.37 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.0 mt -48.2 -39.02 19.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.81 -30.08 8.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.0 -28.47 60.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.722 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LEU . 5.6 mptt -78.87 -37.15 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.42 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 47.8 t-105 -59.14 -54.36 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.28 -26.72 68.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 -6.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.7 tp -75.57 -4.68 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.857 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 57.83 168.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.857 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -5.18 16.45 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.76 -43.05 23.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.9 mm-40 -87.38 -27.03 23.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -82.81 -20.23 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.3 mt-30 -54.81 -56.87 22.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.97 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.15 -56.53 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.12 -36.13 78.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.4 -26.34 65.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -78.73 -40.39 33.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -20.08 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -16.21 60.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.08 14.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.61 -17.7 24.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -33.79 70.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -40.27 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -42.26 98.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.225 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' SD ' ' A' ' 29' ' ' MET . 6.0 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.62 149.91 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.75 -30.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' SER . 25.4 t80 -62.96 -47.95 80.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 mtm -62.16 -37.91 87.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -56.38 -43.74 79.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.43 -24.05 37.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -78.37 -46.91 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -41.62 -27.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 32' ' ' ALA . 36.4 mt-10 -106.37 -26.28 11.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.7 m120 -102.0 36.09 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -108.49 3.26 22.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 15.3 t0 -119.1 -40.71 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.8 mp -53.99 -33.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.592 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -80.22 -41.61 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.466 HH21 ' HB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -57.94 -36.89 73.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -60.17 -45.66 92.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 mm-40 -80.01 -7.62 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.592 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.49 63.17 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.386 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.488 1.783 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -12.91 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.801 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.4 pp -126.21 162.8 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 ' HB ' HH21 ' A' ' 40' ' ' ARG . 41.4 p -128.18 -170.99 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' H ' ' NH2' ' A' ' 40' ' ' ARG . 6.5 t80 -37.38 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -37.81 -51.71 2.0 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.733 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -116.88 -16.49 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.9 -46.97 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.56 -8.96 73.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -97.44 3.31 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -121.13 -42.91 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.818 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.9 mt -46.54 -37.18 7.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.94 -32.52 62.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.52 -29.96 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 45.3 mttp -79.86 -33.96 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -60.86 -53.6 55.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 107.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -66.11 -26.83 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.23 0.18 57.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -80.54 2.18 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.744 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.49 170.94 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.443 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.6 Cg_endo -74.94 -8.25 19.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.14 -40.23 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 mm-40 -87.89 -29.04 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -11.97 56.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -64.17 -56.61 22.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.357 1.036 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -54.96 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.66 -38.33 69.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.83 -27.85 60.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -76.9 -40.01 48.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.66 63.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -7.91 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -39.55 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 1.5 p30 -55.97 -19.14 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -48.88 -33.97 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -38.24 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -66.92 -33.3 75.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 3.7 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -99.44 153.45 18.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.34 -26.47 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -67.66 -49.17 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -31.67 66.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.4 m-85 -65.57 -53.97 34.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.5 -11.26 59.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -89.54 -46.68 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 1.3 m-80 -45.59 -26.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -33.07 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.759 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.9 m120 -95.69 28.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.34 -12.39 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.24 -26.42 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.2 mp -58.03 -42.63 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.618 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -79.83 -44.35 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.733 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -55.53 -34.57 64.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.3 mt-10 -81.82 -6.71 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.618 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -146.25 63.24 8.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -75.04 -5.97 17.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -14.6 49.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 ' CG ' ' A' ' 50' ' ' GLN . 32.5 pt -111.37 -166.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.3 p -156.82 -179.43 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -40.97 -27.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.399 1.062 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -39.97 -47.44 3.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' CG ' HD12 ' A' ' 46' ' ' ILE . 1.3 pm0 -120.06 -21.31 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.733 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.5 t -60.19 -46.04 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.04 -13.26 83.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 13.9 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 9.3 mtmt -123.66 -42.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 35' ' ' ASN . 3.9 mt -41.23 -35.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.4 -27.78 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -76.34 -34.3 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.3 mttm -75.54 -32.68 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.82 ' CE3' HD22 ' A' ' 62' ' ' LEU . 64.1 t-105 -64.3 -60.31 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -23.02 32.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.91 -18.81 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -68.21 -9.66 48.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 51.58 173.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.06 -37.13 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 26.3 mm-40 -96.56 -23.58 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -81.14 -31.75 34.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.646 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.2 mt-30 -42.75 -56.81 5.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.08 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.11 -63.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' CB ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tt0 -56.91 -37.72 71.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -53.98 -31.26 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -77.69 -36.93 50.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -73.18 -16.15 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.86 -50.56 9.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -19.2 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.91 -27.14 68.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -47.62 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -41.83 65.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.0 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.29 155.93 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.153 . . . . 0.0 110.067 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.26 -26.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' SER . 20.2 t80 -70.2 -49.1 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.1 mpp? -62.29 -22.77 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.0 m-85 -71.99 -52.97 14.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.43 -14.28 59.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -86.28 -50.68 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -45.15 -26.51 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 mm-40 -99.17 -31.81 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.1 m120 -96.32 25.34 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.719 ' CD ' HG11 ' A' ' 51' ' ' VAL . 1.2 tmm_? -96.61 4.23 52.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.9 m-20 -112.48 -19.49 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.4 mp -75.34 -37.07 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.412 HG12 ' OD1' ' A' ' 43' ' ' ASN . 1.3 t -82.7 -44.08 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.01 -8.65 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.556 ' HB2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -144.98 63.0 9.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 -1.07 10.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.82 -12.76 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.871 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.2 pp -123.33 165.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLY . 28.0 p -130.89 -170.3 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.42 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 2.4 t80 -37.89 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.19 -48.27 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.603 1.189 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -118.25 -22.09 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.871 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.4 t -60.39 -44.12 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.78 -11.64 73.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.578 1.174 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 0.88 48.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -118.81 -47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 32' ' ' ALA . 4.9 mt -40.74 -37.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.72 -32.28 5.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.64 -32.62 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 62' ' ' LEU . 28.6 mttt -76.46 -35.93 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.844 ' CE3' HD22 ' A' ' 62' ' ' LEU . 65.2 t-105 -60.52 -63.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 107.991 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -52.51 -27.05 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.99 -24.63 30.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.844 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -64.81 -12.08 44.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.21 176.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.0 -10.58 21.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -36.15 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.8 mm-40 -100.19 -24.19 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.548 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -82.8 -17.99 42.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 mt-30 -55.4 -57.27 21.43 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.14 -43.29 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -56.34 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.96 -38.8 73.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.42 -32.79 58.1 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -74.13 -36.64 64.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.53 -12.36 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -21.12 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -85.39 -41.26 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.28 -13.89 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -73.84 -20.4 60.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -98.31 -19.39 17.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -34.27 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 29' ' ' MET . 97.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -99.03 153.44 18.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.86 -29.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' SER . 9.8 t80 -67.18 -45.89 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.51 ' HG2' HD22 ' A' ' 25' ' ' LEU . 1.5 mpp? -68.19 -26.04 65.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.0 m-85 -66.98 -45.11 78.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.31 -27.66 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.82 -46.26 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.3 -28.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -104.59 -31.82 9.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.694 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.0 m120 -93.47 28.07 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -98.78 -3.46 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.12 -32.34 6.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.7 mp -56.56 -41.38 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.83 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -80.66 -42.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -29.39 26.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -77.61 -17.94 57.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -102.38 -15.22 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.83 ' ND2' HG12 ' A' ' 39' ' ' VAL . 13.9 p30 -138.53 60.47 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.499 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -15.58 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -99.77 -176.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 46' ' ' ILE . 11.8 p -122.5 -167.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.13 -24.18 62.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.48 -9.55 85.98 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.1 mt-30 -117.48 -12.18 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.402 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -87.15 -47.16 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -6.52 76.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.05 4.35 42.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -121.07 -43.47 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.694 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.6 mt -46.9 -39.17 11.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.07 -31.27 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.28 -31.04 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' O ' HD13 ' A' ' 62' ' ' LEU . 6.6 mmtt -78.64 -31.01 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.461 ' HE3' HD22 ' A' ' 62' ' ' LEU . 54.7 t-105 -63.85 -51.29 65.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -26.59 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.87 3.66 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -80.71 2.75 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.963 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.92 158.6 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.696 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.9 -0.14 9.56 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.963 ' H ' HG23 ' A' ' 63' ' ' THR . 3.4 mm-40 -87.26 -25.2 24.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 8.0 mm-40 -101.74 -28.55 12.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -28.94 32.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -45.61 -56.92 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.28 -57.72 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.67 -32.7 72.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -62.77 -26.11 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -79.37 -39.45 32.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.41 -15.49 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -22.83 56.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -45.74 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -64.74 -12.96 52.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.48 -28.35 69.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -98.89 -36.84 9.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -22.66 40.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.2 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.71 157.77 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.9 -28.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 4.5 t80 -65.7 -47.49 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' CD2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -65.38 -30.36 71.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -63.29 -44.06 96.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -26.42 31.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -76.81 -46.4 25.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -50.02 -24.15 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -101.71 -37.22 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.721 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m120 -94.19 29.1 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -91.72 -9.56 43.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.61 -24.4 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.3 mp -60.41 -40.57 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.61 HG12 ' OD1' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -79.23 -44.91 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 47' ' ' THR . 66.8 mtp85 -55.15 -36.67 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -39.12 83.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.6 mm-40 -87.66 -6.31 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.61 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -149.83 62.98 6.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.99 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -13.61 34.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.5 pt -113.39 -170.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.467 HG23 ' C ' ' A' ' 46' ' ' ILE . 20.6 p -155.52 -179.61 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -37.41 -31.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -40.79 -45.72 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.27 2.5 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 HD12 ' A' ' 46' ' ' ILE . 2.2 t -89.31 -41.76 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.187 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 -9.62 84.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -104.9 8.12 34.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.63 -40.67 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -50.42 -34.78 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.86 -30.88 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 86.2 mttt -78.18 -34.8 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -60.18 -52.57 64.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.13 -28.45 69.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.1 9.23 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' THR . 4.1 tp -82.2 4.27 24.06 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.72 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.716 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.07 -1.58 11.43 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 0.5 OUTLIER -86.82 -23.85 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 63' ' ' THR . 19.6 mm-40 -104.06 -28.23 11.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.04 -27.75 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.7 mt-30 -47.22 -56.66 11.57 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -49.57 -59.66 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -60.49 -35.92 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.15 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -76.93 -41.03 45.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -66.16 -18.41 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -16.43 59.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.64 -47.56 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -19.02 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.16 -28.05 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.97 -46.37 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -43.24 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 29' ' ' MET . 4.5 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -93.35 151.87 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 109.95 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.5 -28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' SER . 16.3 t80 -65.87 -45.21 82.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.65 -32.58 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 43.7 m-85 -64.06 -45.01 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.53 -16.26 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -88.32 -45.67 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.4 m-80 -46.87 -25.67 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.9 mm-40 -102.1 -34.22 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.767 ' HA ' HD12 ' A' ' 38' ' ' ILE . 2.8 m-20 -93.64 26.85 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.13 -16.04 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.49 -14.43 12.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 35' ' ' ASN . 94.3 mt -66.4 -36.09 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -85.41 -43.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -28.63 64.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.2 mt-10 -101.56 -5.92 24.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.655 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -153.18 62.9 4.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.05 -0.84 10.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.88 -12.73 38.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 28.2 pt -112.3 -169.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.6 p -146.3 -175.48 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 7.0 t80 -50.34 -36.69 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.99 -38.54 1.24 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -118.48 -19.53 8.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -78.32 -48.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.21 -17.02 73.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -105.38 14.95 28.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 0.715 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -120.5 -40.54 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.1 mt -50.33 -37.56 37.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.49 -34.05 48.52 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.577 1.173 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.15 -29.74 66.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 0.712 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 34.0 mttt -79.5 -32.48 42.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.25 -50.22 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -26.75 65.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.46 -0.14 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -78.93 2.0 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.986 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.12 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.04 -0.65 10.24 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.986 ' H ' HG23 ' A' ' 63' ' ' THR . 2.0 mm-40 -87.0 -24.77 24.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.1 mm-40 -101.98 -28.61 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -82.13 -28.28 32.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -46.71 -56.36 11.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.04 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.56 -59.74 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.4 tt0 -57.6 -37.43 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.38 -27.44 65.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -35.94 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . . . -75.33 -18.1 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -74.29 -23.4 59.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -44.21 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -13.4 62.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.78 -29.54 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -41.81 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -30.36 69.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.3 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -88.87 152.86 21.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.45 -29.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.55 -41.5 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.56 -32.5 74.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -63.89 -51.09 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.28 -22.27 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.09 -51.28 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.47 -28.18 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 32' ' ' ALA . 40.2 tt0 -98.67 -36.35 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.86 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.1 m120 -92.8 28.43 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.601 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.69 -12.1 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.9 -11.4 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 35' ' ' ASN . 71.6 mt -72.38 -35.03 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.617 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.68 -45.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -58.57 -32.35 68.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 t -65.52 -38.02 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 1.1 mm-40 -88.59 -9.61 51.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.617 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.09 62.93 9.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.08 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -13.32 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' THR . 22.1 pt -114.04 -167.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.8 p -156.69 -179.09 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 1.7 t80 -40.78 -27.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -43.1 -45.35 6.17 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.417 1.073 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.82 -0.51 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -87.78 -49.24 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -73.37 -12.38 79.98 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 13.06 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.716 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -43.51 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.5 mt -46.51 -40.83 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.61 -33.42 26.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.76 -26.41 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttm -79.87 -36.48 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -60.41 -52.79 63.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 107.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -66.08 -27.86 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.36 7.28 45.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -85.56 8.19 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.965 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.63 158.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.704 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.965 ' H ' HG23 ' A' ' 63' ' ' THR . 1.6 mm-40 -88.36 -23.64 23.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.0 mm-40 -100.64 -29.03 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -31.57 31.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.8 mt-30 -43.69 -56.49 7.13 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.96 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -48.3 -55.15 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.064 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.48 -36.58 78.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -57.63 -29.49 64.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -77.62 -36.78 51.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.44 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -20.72 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.86 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.75 -22.7 64.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.5 -24.32 65.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -46.55 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -37.14 61.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.96 148.6 25.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.61 -28.86 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.57 -45.3 83.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.6 tpp -64.37 -32.99 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -61.16 -46.29 91.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.67 -23.09 34.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.94 -41.06 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.3 m-80 -50.57 -23.07 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.91 -34.92 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.953 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.0 m120 -93.79 27.48 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.38 -13.66 32.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.234 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -113.93 -14.97 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 35' ' ' ASN . 48.1 mt -67.73 -36.59 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.632 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.44 -46.43 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 3.9 ptm180 -56.88 -33.11 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -63.69 -39.02 93.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 4.6 mm-40 -89.34 -6.46 56.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.632 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -148.06 62.52 6.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.01 -0.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -12.56 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 15.5 pt -113.53 -175.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.7 p -148.91 -179.14 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.8 t80 -38.58 -33.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' PHE . . . -37.15 -49.04 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.98 -4.47 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.65 -47.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.47 -10.2 85.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -106.99 12.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.28 -42.73 2.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.727 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.1 mt -47.53 -40.23 18.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.94 -30.61 37.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.7 -33.82 75.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 11.3 mttp -77.34 -32.4 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 75.4 t-105 -60.4 -49.71 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.2 67.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 2.66 56.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -78.58 1.21 23.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.988 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.28 158.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -75.06 1.3 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.988 ' H ' HG23 ' A' ' 63' ' ' THR . 0.6 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 2.9 mm-40 -103.98 -25.81 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -83.3 -37.86 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -40.05 -54.71 4.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.422 1.748 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.6 -60.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.74 -36.81 72.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.59 -32.03 62.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -75.46 -37.8 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.82 -17.9 63.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -15.0 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.38 -45.77 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -18.96 9.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -48.73 -32.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -77.52 -52.66 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.411 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -33.92 60.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.5 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -120.79 148.58 43.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -39.49 -31.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.5 t80 -63.39 -50.6 69.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.0 mpp? -62.34 -36.33 81.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 111.066 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.68 -37.99 22.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 29' ' ' MET . 2.9 m-80 -69.72 -7.86 42.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.73 -33.58 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -106.52 13.91 27.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -75.6 -7.53 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.536 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -115.47 -10.77 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 35' ' ' ASN . 90.4 mt -76.73 -34.69 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.628 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -86.9 -43.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.1 ptm180 -60.48 -28.74 68.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.13 80.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.25 -14.57 25.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.628 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -140.52 61.22 15.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.9 0.21 9.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -11.94 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.539 HD12 HG23 ' A' ' 51' ' ' VAL . 19.6 pt -115.43 -171.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.5 p -149.8 -176.45 5.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -42.46 -26.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.54 -41.53 4.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 5.68 4.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 46' ' ' ILE . 3.0 t -101.39 -37.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -84.14 -2.55 89.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 2.72 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.98 -35.66 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -56.27 -31.57 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.8 -36.19 91.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.91 -30.32 71.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.1 mttt -79.23 -31.93 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -62.41 -48.87 77.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.3 ptpt -67.49 -28.55 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.84 8.45 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.707 ' O ' HG22 ' A' ' 63' ' ' THR . 1.5 tp -81.81 4.48 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 1.003 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 53.75 159.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.05 -1.42 11.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 1.003 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.84 -24.22 25.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.735 ' HG2' HG22 ' A' ' 63' ' ' THR . 15.4 mm-40 -102.05 -29.81 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -83.29 -23.85 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.476 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.3 mt-30 -51.7 -56.02 24.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -61.11 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -55.83 -37.28 68.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.06 -32.28 46.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -76.7 -37.93 55.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -19.41 60.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -17.07 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.47 18.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -16.01 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -29.82 68.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -80.15 -34.46 37.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -70.24 -38.85 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.4 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.85 153.67 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -43.0 -28.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' SER . 5.1 t80 -66.9 -49.7 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -59.36 -29.97 68.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.7 m-85 -66.92 -44.1 81.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -19.31 46.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.77 -46.19 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.429 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -45.86 -26.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 tt0 -99.22 -35.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.716 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.3 m-20 -93.34 26.13 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -88.72 -12.05 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.59 -12.66 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 35' ' ' ASN . 72.6 mt -70.68 -34.78 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.651 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -84.54 -48.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -57.64 -32.8 67.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.417 1.073 . . . . 0.0 110.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 -28.64 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.68 -10.43 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.651 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.6 61.24 7.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.07 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -12.59 34.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.615 ' CD1' HG23 ' A' ' 51' ' ' VAL . 33.4 pt -112.37 -169.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -140.19 -176.86 4.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 110.422 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CE1' ' NE ' ' A' ' 36' ' ' ARG . 2.3 t80 -56.47 -27.0 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.25 -29.45 22.28 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.42 2.3 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.615 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.1 t -107.14 -40.16 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.575 ' CA ' ' CE1' ' A' ' 48' ' ' PHE . . . -70.94 -26.31 74.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -97.08 11.9 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -113.76 -21.88 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD11 ' O ' ' A' ' 35' ' ' ASN . 17.4 mt -77.2 -19.96 56.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.07 -40.22 62.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -65.57 -28.12 68.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.2 mtpp -79.12 -32.9 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 63.1 t-105 -62.24 -52.05 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.58 3.76 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 63' ' ' THR . 1.3 tp -81.79 5.19 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.43 159.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.723 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 5.0 mm-40 -85.85 -25.46 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 24.5 mm-40 -97.61 -29.38 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.04 -27.98 32.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.0 mt-30 -46.97 -56.48 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.26 -58.83 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 7.3 tt0 -59.0 -36.23 74.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.56 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.0 -40.97 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -64.32 -16.37 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -11.93 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.94 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.5 t0 -53.8 -20.08 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -44.8 -31.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -39.75 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 4.8 mmm-85 -63.07 -33.31 75.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 6.7 t80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 1.5 mp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 154.83 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.68 -28.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.61 -45.51 71.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.54 -27.86 69.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.79 -50.65 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -75.54 -26.98 58.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -75.17 -53.91 8.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.8 m-80 -46.01 -26.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 tp10 -99.46 -32.95 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.707 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.9 m120 -94.96 24.82 4.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.4 tpp85 -92.23 -8.39 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.509 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 13.3 m-20 -111.63 -17.55 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -69.88 -37.81 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.838 HG11 ' HD3' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -83.27 -45.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 2.1 ptm180 -55.79 -31.65 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.1 t -68.83 -26.38 65.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.8 -12.77 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.663 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -144.81 62.98 9.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 -8.75 20.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -11.59 58.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 31.9 pt -115.92 -175.07 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 49' ' ' GLY . 30.8 p -147.32 -176.78 5.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.401 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -42.04 -26.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -51.2 -27.15 14.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -146.53 18.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.8 -42.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.39 2.32 84.88 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 3.95 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.838 ' HD3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.68 -33.75 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 39' ' ' VAL . 12.0 mt -51.56 -27.21 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.17 -30.3 77.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.82 -32.06 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -77.54 -34.45 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 31' ' ' PHE . 73.6 t-105 -60.62 -46.74 89.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -67.41 -29.27 68.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 0.22 56.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.5 tp -75.62 -4.87 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.883 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 53.09 171.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 -29.16 8.52 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.883 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mt-10 -57.04 -38.72 73.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 63' ' ' THR . 1.9 mm-40 -94.69 -26.95 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -83.43 -5.06 59.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.625 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -71.88 -57.13 4.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.7 Cg_endo -74.91 -39.15 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -58.28 -68.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.62 -33.92 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.18 -35.75 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.29 -35.19 63.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.28 -15.86 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -19.27 58.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.55 -43.68 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.15 -13.42 36.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -64.59 -11.89 39.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' TYR . 1.6 ttpt -117.22 -56.56 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -43.14 -26.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.2 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -77.3 145.53 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.928 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . . . -42.52 -33.57 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -68.6 -44.67 73.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -58.52 -30.81 67.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.5 m-85 -67.79 -53.41 27.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -76.43 -20.22 57.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -81.63 -51.05 8.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.1 -27.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 7.0 mm-40 -98.33 -33.38 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.837 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.1 m120 -92.38 23.12 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -106.86 14.68 26.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 41' ' ' SER . 27.0 m-20 -120.31 -36.56 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 1.192 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.13 -43.67 89.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -87.41 -42.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 61.4 ttt85 -62.41 -25.37 67.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.078 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 28.5 t -76.54 -32.43 58.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 6.7 mt-10 -90.98 -6.62 53.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.564 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -146.81 62.08 7.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.02 -4.55 15.56 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.427 1.751 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -13.98 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.508 HD12 ' CG ' ' A' ' 50' ' ' GLN . 31.8 pt -110.6 -168.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 46' ' ' ILE . 22.4 p -156.34 -176.56 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -38.92 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -45.46 -44.32 11.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.81 0.5 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.65 -42.85 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.19 -17.75 68.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -0.76 57.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -111.26 -35.33 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.837 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.7 mt -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.21 -30.33 54.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.11 -26.6 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' HD13 ' A' ' 62' ' ' LEU . 12.7 mttm -81.37 -34.85 31.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.47 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 59.8 t-105 -61.49 -51.84 66.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -66.6 -28.45 68.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.34 -0.95 57.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -82.25 4.6 22.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 1.019 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 54.1 159.15 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 0.36 9.0 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 1.019 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.86 -27.37 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.49 -30.69 13.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.02 -26.72 33.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.49 -56.81 11.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.41 1.742 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.68 -56.17 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 27' ' ' ALA . 46.3 tt0 -63.27 -34.62 78.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.3 67.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -77.81 -37.47 48.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.37 -15.31 62.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -16.41 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.69 -46.99 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -22.52 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -71.26 -6.53 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -109.21 -39.77 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -13.86 61.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -82.93 149.93 26.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -42.65 -30.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 26' ' ' SER . 14.2 t80 -67.82 -46.12 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.1 mpp? -57.0 -33.51 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -65.24 -57.79 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.583 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.83 -24.21 66.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.56 -51.14 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.49 -28.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.3 mm-40 -98.87 -36.18 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.917 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m-20 -92.64 28.3 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.218 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.86 -13.28 24.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.519 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.2 m-20 -116.0 -10.48 11.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 35' ' ' ASN . 72.0 mt -74.54 -34.27 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.614 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -85.52 -43.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -58.18 -31.96 67.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -64.24 -38.78 92.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 1.8 mm-40 -88.62 -9.03 53.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.614 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.62 62.72 8.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.98 -0.76 10.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -12.16 40.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 51' ' ' VAL . 13.9 pt -114.73 -174.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 49' ' ' GLY . 22.6 p -148.49 -177.15 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -42.42 -27.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -47.14 -40.28 13.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.88 3.71 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 110.378 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 46' ' ' ILE . 2.3 t -95.05 -46.51 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.07 80.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -103.96 14.06 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -41.21 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.917 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.4 mt -50.68 -37.99 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.73 -29.29 12.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.41 -30.53 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' LEU . 22.9 mttt -78.9 -35.87 42.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -59.23 -52.36 66.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -29.03 69.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.68 -7.24 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' LEU . 2.9 tp -73.78 -4.54 35.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.35 171.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.94 -29.0 8.79 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.919 ' H ' HG23 ' A' ' 63' ' ' THR . 1.7 mt-10 -57.92 -36.94 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 63' ' ' THR . 10.0 mm-40 -96.4 -27.78 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -4.35 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -71.95 -57.32 4.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.04 -39.37 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -57.32 -66.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.36 -38.44 66.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.73 -31.95 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -76.66 -35.7 57.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -73.95 -17.13 61.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -21.28 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.72 -45.63 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -20.93 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -23.56 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -38.94 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -45.83 79.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.564 HD23 ' SD ' ' A' ' 29' ' ' MET . 30.6 mt . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -135.12 149.53 50.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -46.93 -30.15 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.51 -37.23 79.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.564 ' SD ' HD23 ' A' ' 25' ' ' LEU . 3.2 ttm -77.33 -19.52 56.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -72.27 -47.65 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -83.64 -20.67 33.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -78.13 -45.37 23.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -43.12 -28.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.1 mt-10 -99.58 -34.93 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.6 m120 -91.64 26.22 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.99 -17.62 24.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.17 -13.89 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 35' ' ' ASN . 95.1 mt -67.02 -35.15 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.684 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -83.82 -43.31 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -37.1 71.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -63.87 -30.76 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.545 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.8 mm-40 -96.13 -5.46 40.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.684 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -152.68 61.48 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 -0.26 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -90.4 -17.47 27.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.607 HD12 HG23 ' A' ' 51' ' ' VAL . 39.3 pt -106.24 -169.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -144.05 -176.06 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.466 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 18.3 t80 -55.11 -29.48 57.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.33 -29.29 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.05 4.82 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 0.74 . . . . 0.0 110.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.607 HG23 HD12 ' A' ' 46' ' ' ILE . 2.9 t -109.55 -39.52 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -81.79 -15.09 76.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -105.94 13.89 28.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -116.5 -37.42 3.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.6 mt -50.74 -27.75 7.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -26.37 53.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.98 -29.85 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 9.2 mttm -78.61 -37.7 41.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.542 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 47.6 t-105 -58.56 -55.27 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -62.58 -28.38 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.3 7.65 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.706 ' O ' HG22 ' A' ' 63' ' ' THR . 3.0 tp -85.23 8.14 19.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 1.0 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.68 157.95 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.679 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.574 1.828 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 1.0 ' H ' HG23 ' A' ' 63' ' ' THR . 1.4 mm-40 -89.72 -23.96 21.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.705 ' HG2' HG22 ' A' ' 63' ' ' THR . 4.2 mm-40 -99.34 -28.91 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.233 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 1.1 ttpp -82.72 -33.1 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -43.65 -55.47 8.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -75.04 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.622 1.853 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -46.6 -55.28 7.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 21.7 tt0 -62.68 -34.92 78.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -60.72 -28.98 69.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -39.86 59.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -66.16 -16.95 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -14.57 60.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.23 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -20.87 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -24.35 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -87.98 -50.27 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -51.59 -37.11 48.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.9 155.36 21.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.65 -30.64 9.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 9.0 t80 -65.53 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mmt -71.09 -34.42 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -62.77 -52.83 61.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -74.58 -18.53 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' TYR . . . -80.29 -42.65 22.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.88 -19.2 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.66 -33.52 8.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.687 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.2 m-20 -91.62 20.8 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -2.91 49.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.66 -19.51 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -70.36 -37.81 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -81.86 -54.87 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -49.22 -31.41 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -73.33 -36.91 66.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.28 -10.87 51.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 46' ' ' ILE . 8.4 p30 -152.13 68.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 1.41 7.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.69 -21.81 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 43' ' ' ASN . 43.2 pt -102.45 -177.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 12.5 p -148.73 174.27 12.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' THR . 19.4 t80 -37.92 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -41.16 -41.83 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -124.95 -20.37 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 46' ' ' ILE . 3.8 t -67.65 -37.75 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.6 -17.88 72.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -105.13 16.2 26.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 0.723 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -41.68 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 35' ' ' ASN . 5.5 mt -42.82 -38.04 2.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.06 -27.79 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.78 -39.22 61.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.3 mmtt -71.62 -31.58 67.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.874 ' CE3' HD22 ' A' ' 62' ' ' LEU . 57.9 t-105 -62.75 -62.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -53.41 -24.4 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.64 -24.79 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.874 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -65.55 -11.3 42.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.48 174.18 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.703 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.01 -12.31 21.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.37 -44.78 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.7 mm-40 -87.51 -25.38 23.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.46 -25.76 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -47.94 -56.79 12.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.592 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -49.56 -59.04 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.8 -34.53 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.66 -36.26 61.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -74.57 -36.8 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -74.56 -14.76 60.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -21.27 56.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.59 -46.2 17.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -19.85 65.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -66.13 -28.85 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.81 -40.6 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -44.63 93.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 8.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.62 152.78 27.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.52 -30.67 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.52 -31.39 72.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.26 -44.81 74.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.79 -43.56 90.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.02 -23.93 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.43 -57.33 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.209 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.42 -26.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.2 mm-40 -92.1 -42.75 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.929 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.0 m120 -92.58 26.88 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -91.04 -4.73 56.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.35 -24.39 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 35' ' ' ASN . 22.5 mt -61.04 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -88.2 -46.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -27.05 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -69.93 -18.85 63.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.08 -16.09 13.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.552 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 16.2 p30 -138.92 57.45 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -9.59 59.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 2.2 pp -130.08 175.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . 40.2 p -130.26 -172.81 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -39.84 -27.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -46.36 -32.07 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.653 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -136.43 9.62 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -102.9 -45.1 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -64.02 -24.71 68.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -0.09 52.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 0.718 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 39' ' ' VAL . 3.6 tttt -111.88 -25.1 9.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 55' ' ' LEU . 13.9 mt -78.99 -27.38 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.1 85.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -61.86 -27.64 68.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 0.735 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 2.6 mmtt -81.62 -33.09 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 65.5 t-105 -62.07 -49.43 76.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -30.17 69.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.25 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -77.84 1.15 21.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.98 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.12 157.65 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.673 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.98 0.33 9.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.42 1.747 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.98 ' H ' HG23 ' A' ' 63' ' ' THR . 0.4 OUTLIER -89.5 -22.16 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.0 mm-40 -103.84 -31.01 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.528 ' HD2' ' CE2' ' A' ' 59' ' ' TRP . 24.0 mtmt -80.54 -33.35 36.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -39.9 -56.99 2.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.02 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.47 -61.06 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LYS . 35.4 tt0 -53.35 -39.67 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.47 -30.18 60.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -76.36 -35.88 58.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.89 -18.72 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -20.8 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.53 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -18.98 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -74.66 -25.63 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -35.32 19.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -46.64 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.958 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 25' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -120.47 155.71 32.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -28.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 6.1 t80 -65.55 -45.54 82.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 tpp -64.86 -32.01 73.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -62.24 -45.21 94.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -81.52 -24.68 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -79.33 -49.8 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -41.28 -29.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -100.74 -32.63 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.937 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.9 m120 -95.12 29.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -96.89 -13.31 22.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.7 m-20 -117.39 -7.4 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 35' ' ' ASN . 59.0 mt -76.63 -34.02 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.637 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -84.91 -45.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 8.5 ptm180 -56.04 -30.21 61.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -40.29 92.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 3.3 mm-40 -88.0 -5.44 58.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.637 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.87 61.62 5.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.382 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.93 -1.61 11.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.053 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.27 -15.47 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 43' ' ' ASN . 35.1 pt -109.08 -169.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.9 p -146.18 -175.56 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 19.7 t80 -52.94 -33.64 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.72 -37.52 2.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.68 -21.09 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -77.37 -47.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -72.03 -16.45 76.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 16.14 26.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -125.31 -43.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.937 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.9 mt -44.28 -41.12 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.02 -33.95 22.6 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.68 -31.51 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 6.7 mmtt -79.13 -40.72 30.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 73.1 t-105 -53.98 -43.15 69.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.87 57.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -91.51 4.47 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 63' ' ' THR . 1.6 mp -80.38 3.79 20.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.981 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.21 156.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.645 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.04 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.981 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mm-40 -87.95 -26.78 22.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -104.15 -27.87 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -33.55 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -40.6 -56.08 3.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -57.4 4.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.15 -36.4 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -54.59 -29.98 53.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -43.05 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -68.46 -21.3 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -16.72 60.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.44 20.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -16.12 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -63.55 -22.43 66.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.31 -37.84 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 4.5 ttm105 -71.4 -30.59 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 29' ' ' MET . 80.5 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -98.91 150.21 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.16 -29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' SER . 4.3 t80 -65.32 -49.64 68.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.809 ' HG2' HD22 ' A' ' 25' ' ' LEU . 2.5 mpp? -56.23 -36.25 68.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -75.47 -29.87 59.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -76.46 -53.7 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.81 -27.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' ALA . 30.2 tt0 -98.84 -37.58 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.835 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.7 m120 -93.91 30.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.91 -14.04 35.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.534 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m-20 -117.04 -9.51 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 35' ' ' ASN . 70.8 mt -73.41 -34.07 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.657 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -85.19 -46.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.534 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 ptm180 -57.13 -33.08 67.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -64.89 -37.79 88.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.2 mm-40 -90.42 -6.75 54.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.657 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.38 62.78 6.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.0 Cg_endo -75.03 0.18 9.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.799 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -12.76 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.513 HD12 HG23 ' A' ' 51' ' ' VAL . 19.4 pt -113.33 -179.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 49' ' ' GLY . 7.6 p -142.57 177.37 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -40.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -44.92 -44.72 8.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -1.98 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 46' ' ' ILE . 1.7 t -86.25 -49.88 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.25 -14.2 76.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.068 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.92 14.23 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -120.98 -41.5 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.0 mt -49.19 -36.47 19.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.35 -29.29 37.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.62 -28.79 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 39.4 mttm -79.54 -36.38 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 48.8 t-105 -60.89 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -67.31 -24.05 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.24 5.83 50.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.4 tp -82.12 6.04 17.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.13 171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.491 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.02 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.555 1.818 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.3 mt-10 -83.58 -21.75 32.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.766 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -119.51 -11.5 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.365 1.041 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -92.39 -27.12 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.793 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.8 pt20 -74.89 -32.82 1.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.04 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.442 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 1.7 m-85 -61.39 -48.41 81.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 19.3 tt0 -60.52 -33.27 72.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -64.94 -34.18 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -36.7 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.88 61.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -18.46 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.94 -45.91 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.93 -21.96 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.5 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -38.52 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -44.57 93.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.12 154.73 17.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.44 -30.82 13.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -63.24 -32.11 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.24 -48.91 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -52.07 -39.51 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.431 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -81.5 -25.47 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -78.15 -48.35 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -44.75 -27.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 4.7 tt0 -101.64 -32.75 10.19 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.795 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.2 m120 -99.81 33.91 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.9 mmt180 -107.88 3.78 24.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.86 -39.67 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.03 -36.52 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.614 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.72 -42.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -57.62 -30.91 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 t -72.31 -33.53 67.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -87.83 -8.86 55.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 110.238 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.614 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -147.9 63.41 7.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.243 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -11.3 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -108.23 -175.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 46' ' ' ILE . 62.3 p -127.62 -172.22 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 8.4 t80 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.29 -7.91 47.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -117.12 -11.77 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.9 t -88.72 -44.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.92 69.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -4.85 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 109.247 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.29 -42.44 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.795 HD21 ' O ' ' A' ' 35' ' ' ASN . 8.5 mt -48.91 -38.91 24.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.13 -26.09 48.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.82 -29.98 56.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.674 ' O ' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -82.09 -31.75 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.901 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -63.05 -48.16 79.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -71.23 -26.97 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.35 4.38 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 58' ' ' LYS . 1.1 mp -83.14 -2.74 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.66 ' CG2' ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 55.2 167.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.6 Cg_endo -75.03 15.3 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.66 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.0 mm-40 -97.16 -41.08 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 40.1 mm-40 -89.25 -25.06 21.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLU . 10.0 ttpt -84.98 -38.61 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 2.1 mt-30 -39.62 -54.04 4.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.3 Cg_endo -75.04 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -51.1 -59.03 4.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -52.71 -41.31 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.35 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -71.88 -35.75 69.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -13.98 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -73.9 -25.82 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -41.83 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.601 1.188 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -22.9 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -30.42 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -86.4 -35.6 19.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.52 -40.85 88.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.89 154.5 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.06 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.56 13.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.76 -32.14 73.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mmt -69.61 -47.71 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -52.88 -42.3 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -78.45 -29.74 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -73.8 -52.16 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.91 -23.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -38.81 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.871 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.6 m120 -96.18 30.73 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 1.4 tmm_? -92.64 -15.2 27.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -116.22 -10.76 11.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 35' ' ' ASN . 73.2 mt -71.85 -34.98 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -84.82 -46.74 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.3 ptm180 -56.19 -33.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.4 t -63.74 -34.19 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.5 mm-40 -93.56 -6.05 47.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.626 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.41 61.95 6.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.98 0.41 8.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -14.56 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' VAL . 36.8 pt -110.18 -171.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -142.18 -175.81 4.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.552 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 3.1 t80 -54.96 -30.13 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.78 -36.86 6.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.481 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.55 -21.99 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.272 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -76.71 -49.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -68.44 -17.73 70.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.44 15.39 28.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.17 -42.6 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.871 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.0 mt -46.43 -39.18 10.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.4 -29.8 17.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.448 1.092 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.6 -28.12 58.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 0.825 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 8.2 mtpt -80.78 -39.92 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.6 t-105 -56.75 -49.46 75.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -70.22 -26.09 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.28 8.4 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' CD2' ' CD1' ' A' ' 31' ' ' PHE . 1.7 tp -84.76 4.23 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.869 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 53.23 169.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.869 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.97 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.589 1.837 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.4 mt-10 -82.97 -22.51 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.259 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -118.68 -11.69 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.581 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 tttm -92.01 -27.15 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.787 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.5 pt20 -74.8 -32.52 1.34 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.06 -55.41 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -51.15 70.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.55 -33.55 72.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.62 -33.73 74.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 -12.92 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.64 59.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.6 -42.02 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -19.15 47.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.93 -25.3 68.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -34.16 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -67.1 -40.74 86.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 111.037 179.94 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.885 HD22 ' HG3' ' A' ' 29' ' ' MET . 1.3 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -122.02 157.54 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HB3' ' HZ2' ' A' ' 59' ' ' TRP . . . -43.79 -27.25 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' HA ' ' CE2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.31 -57.47 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.885 ' HG3' HD22 ' A' ' 25' ' ' LEU . 5.8 tmm? -52.22 -45.74 65.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 58.5 m-85 -50.11 -46.85 54.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.751 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -80.05 -17.57 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -80.76 -52.93 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -42.47 -28.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 mm-40 -98.36 -32.98 11.24 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.735 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.9 m120 -97.22 30.79 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.586 ' CD ' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -104.36 12.03 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.32 -38.55 2.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.408 1.067 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.9 mp -57.79 -37.09 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.698 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.95 -43.64 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -58.34 -37.19 74.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -62.25 -43.56 98.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.63 -10.17 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 39' ' ' VAL . 1.7 m120 -138.52 60.09 19.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 1.51 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -18.16 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.1 pt -102.09 177.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -121.01 -169.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -65.95 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.92 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.63 -8.42 60.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.81 -13.75 10.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' CD ' ' A' ' 36' ' ' ARG . 1.4 t -82.91 -42.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.69 -20.76 70.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -79.62 -4.86 53.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 0.828 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' HG11 ' A' ' 39' ' ' VAL . 10.1 tttt -120.18 -46.87 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.8 mt -48.73 -44.17 38.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.16 -31.8 8.88 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.01 -36.27 83.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.5 mttt -75.86 -29.93 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 31' ' ' PHE . 32.2 t-105 -61.49 -60.34 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -60.93 -24.25 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -88.99 -1.65 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.384 1.052 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 70' ' ' TYR . 3.1 tp -80.52 3.38 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.84 168.61 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.01 -24.17 13.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.952 ' H ' HG23 ' A' ' 63' ' ' THR . 2.3 mm-40 -60.11 -37.75 80.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 4.5 mm-40 -91.87 -25.71 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -82.18 -14.96 54.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.521 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -59.35 -58.4 19.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.99 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.55 -58.31 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -59.05 -37.35 76.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.75 -24.06 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -82.51 -52.84 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' N ' ' A' ' 27' ' ' ALA . . . -60.96 -17.27 50.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -16.62 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.47 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -16.19 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -62.32 -27.32 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -88.42 -26.91 21.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 2.2 mtp180 -69.95 -47.42 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.978 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -90.22 145.72 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -40.83 -30.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' SER . 12.6 t80 -67.87 -47.46 68.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 mpp? -62.0 -31.08 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -62.5 -54.88 33.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.46 -26.33 58.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.68 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.1 m-80 -48.94 -24.88 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -106.41 -29.86 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.881 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m-20 -93.9 28.27 2.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' NE ' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.46 -16.68 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.52 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.2 m-20 -117.61 -8.23 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 35' ' ' ASN . 62.5 mt -74.69 -34.1 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.687 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -85.21 -45.87 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 7.9 ptm180 -57.03 -33.23 66.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -60.74 -37.94 83.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.58 -11.3 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.877 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -141.5 59.29 9.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.03 6.21 3.54 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -21.94 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.915 HD11 HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -97.55 -177.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' HG12 ' A' ' 46' ' ' ILE . 33.3 p -124.73 -179.23 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 1.1 t80 -60.86 -18.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.87 -13.14 83.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -117.05 -18.29 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.915 HG23 HD11 ' A' ' 46' ' ' ILE . 1.9 t -89.29 -44.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.57 -18.77 75.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.48 16.89 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' GLU . 2.8 mttp -129.17 -43.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.881 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.1 mt -42.44 -45.49 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.96 -35.84 8.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mt-10 -66.59 -30.02 70.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 17.5 mmtt -78.85 -40.9 31.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.428 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 63.9 t-105 -53.94 -45.23 71.18 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -73.88 -25.24 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.74 -7.42 58.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' CG ' ' A' ' 66' ' ' GLU . 1.9 mp -74.39 -2.03 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.943 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.38 169.97 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.458 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -74.98 -27.92 9.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.943 ' H ' HG23 ' A' ' 63' ' ' THR . 2.7 mt-10 -59.49 -45.89 90.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' OE1' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -90.44 -27.85 19.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 63' ' ' THR . 18.8 ttpt -83.37 -6.22 59.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 3.0 mt-30 -67.54 -57.06 10.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.92 -41.34 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.619 ' CD2' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -53.26 -61.69 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 29.5 tt0 -63.34 -35.35 80.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -58.12 -26.97 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -79.59 -41.91 26.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -69.17 -18.1 63.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -21.89 57.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.242 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -40.73 44.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.45 -12.67 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -72.69 -26.9 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.0 -11.08 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -26.41 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.3 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -91.97 151.59 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.96 -30.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' N ' ' C ' ' A' ' 26' ' ' SER . 11.9 t80 -64.54 -50.07 68.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.9 mpp? -55.69 -40.87 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -55.64 -51.48 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -72.01 -22.8 61.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HA ' HD13 ' A' ' 55' ' ' LEU . . . -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' MET . 27.7 m120 -56.84 -20.21 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -102.75 -39.15 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.827 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m-20 -95.46 28.86 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -16.47 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -10.58 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 35' ' ' ASN . 86.8 mt -69.72 -35.19 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.631 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -84.45 -43.26 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -33.74 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -64.03 -34.33 77.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.73 -7.63 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.631 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -149.83 63.64 6.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.04 0.4 8.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.11 -11.18 39.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 51' ' ' VAL . 20.2 pt -115.88 -173.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -150.44 -178.74 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.02 -27.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.35 -40.48 10.9 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.381 1.051 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.3 5.51 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.479 HG23 HD12 ' A' ' 46' ' ' ILE . 2.6 t -96.5 -38.16 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.32 76.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 10.95 40.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 5.0 mmtt -112.31 -26.07 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 35' ' ' ASN . 15.7 mt -72.4 -24.82 61.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.65 95.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.2 mttm -84.08 -34.97 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.531 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 49.6 t-105 -61.44 -52.17 65.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -26.89 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -93.87 10.27 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.656 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -87.59 16.39 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.968 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.06 159.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.88 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.968 ' H ' HG23 ' A' ' 63' ' ' THR . 4.0 mt-10 -84.47 -20.54 31.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.2 mm-40 -116.53 -13.59 10.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.53 -26.26 18.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.796 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 7.1 pt20 -75.15 -31.9 1.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.09 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -41.46 93.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 111.054 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -68.8 -33.0 73.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.69 -37.14 80.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -76.16 -39.37 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -12.95 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -22.58 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.18 -33.93 24.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -21.06 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -71.64 -26.28 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -87.54 -41.64 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -47.57 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.959 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.9 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -94.34 152.16 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.934 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -41.42 -29.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 8.5 t80 -66.55 -47.27 73.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.7 mpp? -65.11 -30.05 70.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 19.7 m-85 -61.39 -49.14 78.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.5 -26.69 45.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -76.49 -50.4 14.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 1.1 m-80 -40.98 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.3 mt-10 -100.39 -31.5 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.622 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.0 m120 -95.13 29.08 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 4.2 ttp180 -103.66 8.41 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -114.28 -30.34 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.51 -36.08 76.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.18 -47.32 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 1.1 ptm180 -57.61 -32.96 67.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -33.42 75.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.7 mt-10 -93.3 -7.15 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.589 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -147.56 61.75 6.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.94 -5.84 17.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.38 -13.77 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.773 HD13 ' HG2' ' A' ' 50' ' ' GLN . 2.2 pp -121.89 171.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLY . 69.4 p -131.46 -171.09 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 10.3 t80 -37.46 -31.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.78 -43.92 1.77 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.773 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -121.75 -4.11 9.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.754 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -90.72 -46.9 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.556 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -72.32 -8.6 70.96 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -107.65 8.25 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -122.85 -42.81 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 35' ' ' ASN . 6.9 mt -52.14 -41.16 62.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -47.7 -34.47 10.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.06 -33.33 75.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttt -76.47 -32.85 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.505 ' CH2' ' HB1' ' A' ' 27' ' ' ALA . 70.3 t-105 -60.61 -49.01 79.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 107.964 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -65.8 -28.53 69.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.43 6.56 48.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 31' ' ' PHE . 3.7 tp -78.29 -2.32 37.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.91 167.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.666 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -22.79 14.37 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 3.6 mm-40 -63.49 -34.47 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.67 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.3 mm-40 -96.02 -25.78 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -82.02 -28.59 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.3 mt-30 -46.49 -55.92 12.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.486 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.0 -47.04 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -55.33 -72.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 tt0 -46.35 -42.28 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 75' ' ' GLN . . . -63.97 -47.5 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.08 -24.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 71' ' ' GLU . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.592 ' CD ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -70.68 -6.17 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.98 -54.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.94 -24.48 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.87 -28.83 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 -36.22 28.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -64.11 -44.37 92.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.95 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -90.52 155.09 19.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.38 -29.91 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.88 -30.51 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 mmt -74.0 -40.12 63.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -59.1 -44.14 91.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -78.65 -33.78 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' GLU . . . -71.83 -49.22 40.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -47.27 -23.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 32' ' ' ALA . 3.6 mt-10 -107.28 -29.08 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.918 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.0 m120 -96.36 31.14 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -99.6 -5.83 28.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.5 t0 -114.22 -32.7 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 35' ' ' ASN . 13.0 mt -57.28 -32.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.698 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.62 -43.96 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -57.82 -37.48 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -64.02 -40.85 97.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.538 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 9.1 mm-40 -86.54 -5.78 59.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.56 63.41 6.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.99 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.36 -16.1 29.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 37.2 pt -109.61 -177.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -145.85 179.96 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -45.24 -24.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.55 -49.69 7.05 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -118.62 -15.75 9.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.5 t -65.76 -42.67 92.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.78 14.77 27.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -119.37 -39.65 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.3 mt -49.05 -31.51 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.58 -27.55 48.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.72 -32.09 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.312 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 mttm -78.33 -36.63 46.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.46 -52.72 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.053 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.92 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.211 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -91.38 4.64 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 3.6 tp -80.08 1.87 26.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 51.15 170.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.03 -27.02 10.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.922 ' H ' HG23 ' A' ' 63' ' ' THR . 4.7 mt-10 -61.59 -25.04 67.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.797 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 1.6 mm-40 -116.12 -14.03 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.06 -25.18 19.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.789 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 3.9 pt20 -75.43 -33.2 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.09 -53.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.34 -48.3 80.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 24.4 tt0 -61.71 -36.17 80.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.55 -33.6 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -74.37 -33.59 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -19.66 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 -47.08 12.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.27 -18.27 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -58.85 -29.4 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -89.34 -32.97 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.23 -41.81 98.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.541 0.21 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' O ' ' HB ' ' A' ' 3' ' ' THR . 8.5 p -167.0 151.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER 178.16 88.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.04 139.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -177.48 97.03 0.23 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -178.05 134.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -174.4 150.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 148.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -170.84 127.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -147.5 123.54 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 4.6 ptt180 -154.46 142.04 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.2 mttp 169.35 -168.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm 64.54 145.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -132.86 -172.43 2.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -156.9 157.1 30.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -66.0 77.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.973 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -121.32 145.62 42.77 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -74.97 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -40.0 -60.52 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 164.88 42.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 54.03 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -40.05 153.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -90.75 153.38 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.72 -29.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 41.9 t80 -66.85 -48.69 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -55.1 -37.06 66.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.29 -51.74 66.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.08 -31.52 69.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.56 -53.63 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' NH2' ' A' ' 36' ' ' ARG . 1.9 m-80 -40.98 -29.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.8 mm-40 -99.11 -35.71 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.752 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.3 m120 -93.69 29.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -97.11 -9.32 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -111.63 -29.87 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mp -56.04 -40.63 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.38 -43.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HD2' HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.64 -28.13 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -73.87 -22.72 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.69 -8.27 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.589 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -148.31 61.68 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.08 -17.93 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.652 HD12 ' HG2' ' A' ' 50' ' ' GLN . 31.1 pt -106.41 -178.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.4 p -129.82 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 9.1 t80 -57.1 -27.5 61.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.33 -36.39 7.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.652 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -115.65 -23.01 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG11 ' HD2' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -74.0 -50.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.86 -15.05 73.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.55 13.01 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -41.66 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.1 mt -51.16 -34.01 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.28 -26.3 28.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.17 -29.66 38.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.47 -38.4 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 41.5 t-105 -58.5 -52.31 66.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.35 -27.76 68.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -87.79 -1.44 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.5 tp -78.58 0.82 24.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.651 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 56.64 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.99 -7.1 18.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.59 -40.74 48.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 4.9 mm-40 -87.25 -29.41 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -13.97 54.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -61.61 -56.99 27.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.01 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -54.59 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -57.88 -25.13 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -78.94 -40.85 30.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.65 -13.19 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -14.98 59.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -36.14 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.08 -17.63 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -55.0 -24.67 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 -41.07 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.35 67.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 21' ' ' PRO . 8.5 t80 -62.0 -15.4 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.34 -19.76 30.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -39.68 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.41 -12.0 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.64 -33.14 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.51 -34.81 76.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -76.41 -44.87 34.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.973 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 5.5 t80 -51.35 -48.38 62.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -72.54 -34.41 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.88 -25.48 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 87' ' ' LEU . 5.8 p -79.63 -28.18 40.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.8 pp -121.77 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.39 176.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 3' ' ' THR . 10.1 t -136.72 114.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.14 15.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.571 1.827 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -173.26 179.61 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 67.96 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.83 2.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 179.09 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 151.06 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.868 ' NH2' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -132.96 19.52 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -74.94 97.76 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -149.88 106.66 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.15 130.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.18 160.8 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.82 67.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -117.03 -175.52 2.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.85 158.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.95 -159.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.54 77.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.965 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -123.56 146.92 51.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.02 136.71 20.71 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -47.55 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.88 101.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.34 108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' ' 25' ' ' LEU . 3.3 mp -57.91 166.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -104.82 152.12 22.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.08 -29.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -66.76 -48.9 67.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -62.0 -51.55 67.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -33.39 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -74.15 -55.3 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -40.24 -29.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -95.7 -37.1 10.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.828 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.4 m120 -93.23 29.01 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -101.68 1.75 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.76 -36.76 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -55.23 -38.3 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.67 -42.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -55.93 -33.69 64.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -59.15 -42.31 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 1.6 mt-10 -86.4 -6.66 58.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.531 ' HB2' HD11 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -147.66 62.73 7.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 0.73 8.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.2 -11.88 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.81 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.5 pp -121.37 167.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.868 HG21 ' NH2' ' A' ' 10' ' ' ARG . 44.3 p -132.02 -173.63 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 6.2 t80 -37.68 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.184 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -36.82 -47.93 1.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -10.76 9.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.81 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.3 t -79.16 -45.68 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -77.24 -3.89 82.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -101.51 -7.3 22.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -116.41 -28.44 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.7 mt -62.99 -27.81 69.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.72 -34.21 87.82 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.582 1.177 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.53 -30.82 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.0 mmtt -78.22 -35.33 48.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -58.38 -49.82 75.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -66.02 -29.94 70.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.99 57.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tp -76.62 -1.85 29.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.852 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 55.78 168.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.96 -9.04 20.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.0 -45.13 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 35.0 mm-40 -85.52 -29.1 24.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -11.82 57.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -63.07 -57.48 20.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -60.07 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.43 -38.27 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -30.91 61.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -75.99 -37.92 57.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.85 63.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -19.65 60.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.64 -50.56 9.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -56.66 -19.0 14.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.3 -30.36 70.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.35 -42.5 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -59.78 -39.46 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 49.1 t80 -60.94 -17.29 50.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.89 -20.65 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.206 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 m -66.58 -58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -31.8 73.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.209 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.3 tt0 -60.12 -49.77 76.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -48.14 69.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.965 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.6 t80 -56.38 -48.38 77.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.42 -35.54 68.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 1.195 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -65.44 -14.39 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -42.05 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.25 -43.83 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' C ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.525 0.202 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 1' ' ' MET . 16.0 m 40.82 65.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.48 110.41 62.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -170.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.28 148.71 70.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.71 5.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -164.28 137.15 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -47.91 116.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.02 140.92 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -101.24 138.14 38.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -137.0 97.99 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -84.86 142.06 30.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -64.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -164.3 67.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.77 96.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.95 143.08 24.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' C ' ' ND2' ' A' ' 19' ' ' ASN . 18.3 Cg_endo -75.0 -158.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 38.7 72.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.01 151.15 18.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.46 19.15 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -40.9 -71.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.12 92.09 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -52.03 111.73 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mp -85.83 159.39 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 154.29 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.5 -30.19 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -30.82 71.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.2 -38.83 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 65.0 m-85 -60.79 -48.0 83.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.55 -29.94 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -75.54 -54.27 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -28.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -99.1 -32.19 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.737 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.9 m120 -97.71 31.43 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -103.96 10.79 36.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.19 -39.83 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -55.8 -39.02 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.637 HG21 ' HG ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -82.38 -42.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -30.64 66.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.1 mm-40 -90.97 -6.44 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.561 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -148.42 63.27 7.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 0.45 8.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -14.52 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -103.05 -172.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 46' ' ' ILE . 8.2 p -128.43 -168.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 9.8 t80 -67.33 -32.32 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.59 -8.53 67.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.03 -7.9 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 55' ' ' LEU . 2.1 t -95.22 -40.12 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' HA3' HH21 ' A' ' 36' ' ' ARG . . . -67.27 -21.62 72.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -9.49 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.6 0.823 . . . . 0.0 109.296 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 16.2 mmtt -111.31 -27.07 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.1 mt -76.29 -25.5 54.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.62 98.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 1.4 pt-20 -69.21 -26.04 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 4.6 mttp -80.99 -37.75 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 41.3 t-105 -58.82 -52.05 67.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.77 -29.28 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.54 1.35 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 2.1 tp -80.46 2.49 25.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.74 169.99 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.03 -9.67 20.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.9 -43.7 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 32.9 mm-40 -85.7 -27.42 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -12.76 56.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -62.75 -57.07 23.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -52.2 -59.79 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 4.8 tt0 -60.2 -34.59 73.84 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -77.79 -36.3 50.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.22 -15.24 61.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -21.83 56.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.46 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -60.68 -22.73 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -70.6 -24.81 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -42.67 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -37.13 69.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.679 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 63.9 t80 -67.77 -9.12 41.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.62 -19.68 20.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -55.9 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -32.07 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -62.65 -29.57 70.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.92 -50.84 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -52.73 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.54 -44.27 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -70.06 -28.4 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.83 -14.43 58.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -5.9 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -79.59 -57.82 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -168.1 133.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.69 94.2 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.17 18.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -178.37 145.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 170.56 80.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.76 36.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -173.29 151.77 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.4 133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.219 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.24 121.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -157.3 129.42 7.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -148.0 142.75 26.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 92.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -174.86 157.31 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.61 -72.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.31 158.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -176.95 137.45 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 -159.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -65.58 76.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.065 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -133.97 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.95 159.56 41.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -91.56 57.48 3.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.3 ptt180 36.92 86.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.86 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.75 162.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.6 154.56 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.43 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 2.6 t80 -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.404 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 11.8 mmt -72.88 -42.41 63.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -54.96 -44.17 74.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -78.49 -21.59 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.14 -47.8 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 29' ' ' MET . 30.2 m120 -48.74 -23.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -39.35 8.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.783 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.4 m120 -93.85 28.17 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.42 -11.59 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -110.66 -27.26 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 mt -55.7 -43.25 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -82.14 -42.75 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.93 -33.35 70.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ASP . 31.0 t -61.06 -35.88 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 3.9 mm-40 -93.75 -8.93 39.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.643 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -146.75 61.81 7.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.91 -17.95 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.498 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 45.9 pt -109.24 -167.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.8 p -148.07 -174.41 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.4 -33.42 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.24 -38.14 3.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.51 -14.95 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.22 -37.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -67.07 -31.99 79.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 0.46 27.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -29.71 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 35' ' ' ASN . 18.1 mt -76.29 -34.62 59.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -57.98 -46.12 92.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -63.71 -25.36 68.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.1 mmtt -80.12 -35.89 36.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.2 t-105 -60.79 -54.17 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.047 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -27.8 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.57 4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' LYS . 3.1 tp -82.54 5.83 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 54.52 166.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.98 -1.88 11.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.02 -39.15 21.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 10.8 mm-40 -85.3 -29.74 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -81.81 -24.56 35.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -49.62 -57.32 12.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -75.01 -49.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -52.57 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 111.081 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.75 -37.92 69.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.64 -28.51 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -77.85 -38.79 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -15.4 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -20.0 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.84 -50.62 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.17 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -26.95 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -84.35 -48.32 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.5 -37.84 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 61.4 t80 -63.08 -15.72 57.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.1 -19.7 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -55.2 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.03 -28.47 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.76 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 3.1 mt-10 -62.77 -47.37 83.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -70.48 -43.72 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.227 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.065 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.0 t80 -50.03 -43.98 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.88 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -80.71 -30.79 36.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -63.45 -35.42 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 88' ' ' TYR . 13.6 t -80.15 -17.62 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 89' ' ' ASN . 17.0 mt -71.95 -55.67 7.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.538 0.209 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.36 175.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 6.8 t -157.08 145.88 14.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.3 Cg_endo -74.99 -176.16 2.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -138.26 -53.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 mt-10 66.09 139.16 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.3 Cg_endo -74.95 -170.86 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 174.1 169.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.31 -66.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER 63.23 141.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.345 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 m -130.35 135.56 48.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -127.99 113.41 15.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.47 124.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -70.87 -73.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? 63.86 124.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -45.69 108.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -124.92 152.91 70.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.366 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -74.98 -159.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.521 1.801 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.1 p-10 -64.96 76.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.034 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -130.39 167.94 18.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 139.84 24.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 53.65 2.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 41.09 84.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.43 122.18 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 109.232 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 29' ' ' MET . 0.9 OUTLIER -57.93 166.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -97.56 153.16 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -29.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.98 -43.74 91.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 mtm -65.92 -34.12 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -59.6 -46.94 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -17.04 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -85.64 -48.38 8.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -40.89 -29.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -99.79 -33.83 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.245 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.755 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.9 m120 -96.47 31.92 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 18.2 tpp180 -98.75 -6.51 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 57.9 m-20 -110.85 -25.15 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.6 mp -64.05 -38.32 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG21 ' HG ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -83.02 -46.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -54.97 -33.03 62.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.9 t -67.0 -31.49 72.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.71 -6.55 45.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.618 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -148.19 61.96 6.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -18.93 29.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.3 pt -102.81 -168.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.2 p -129.8 -168.82 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 15.6 t80 -68.57 -38.4 80.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.69 -8.69 48.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.578 1.173 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -116.89 -10.97 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.98 -42.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.37 -14.83 67.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -4.01 55.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 -43.37 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.0 mt -48.2 -39.02 19.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.81 -30.08 8.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.0 -28.47 60.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.722 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LEU . 5.6 mptt -78.87 -37.15 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.42 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 47.8 t-105 -59.14 -54.36 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.28 -26.72 68.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 -6.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.7 tp -75.57 -4.68 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.857 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 57.83 168.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.857 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -5.18 16.45 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.76 -43.05 23.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.9 mm-40 -87.38 -27.03 23.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -82.81 -20.23 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.3 mt-30 -54.81 -56.87 22.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.97 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.15 -56.53 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.12 -36.13 78.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.4 -26.34 65.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -78.73 -40.39 33.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -20.08 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -16.21 60.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.08 14.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.61 -17.7 24.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -33.79 70.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -40.27 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -42.26 98.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.225 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.622 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 11.8 t80 -67.07 -13.87 62.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -91.19 -34.49 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.83 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -16.76 54.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.41 -30.45 53.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 1.4 mm-40 -64.06 -27.93 69.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.2 -44.85 12.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.034 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.9 t80 -55.36 -44.98 76.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -70.75 -33.62 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.7 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -23.74 64.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.99 -63.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.476 0.179 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t -150.43 150.79 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 62.0 p -127.79 138.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.4 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -131.42 164.15 26.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.93 16.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -174.54 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.812 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -145.18 178.11 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.66 178.42 7.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -164.37 165.17 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.69 163.8 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -117.73 -66.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.27 167.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.0 -171.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 161.25 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -129.82 117.79 20.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -93.45 156.72 39.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -159.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 5.4 p30 -72.19 78.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -127.93 142.18 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.95 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 62.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 39.15 39.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 77' ' ' ASP . . . 39.04 57.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' SD ' ' A' ' 29' ' ' MET . 6.0 mp 54.66 169.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.62 149.91 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.75 -30.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' SER . 25.4 t80 -62.96 -47.95 80.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 mtm -62.16 -37.91 87.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -56.38 -43.74 79.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.43 -24.05 37.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -78.37 -46.91 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -41.62 -27.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 32' ' ' ALA . 36.4 mt-10 -106.37 -26.28 11.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.7 m120 -102.0 36.09 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -108.49 3.26 22.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 15.3 t0 -119.1 -40.71 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.8 mp -53.99 -33.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.592 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -80.22 -41.61 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.466 HH21 ' HB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -57.94 -36.89 73.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -60.17 -45.66 92.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.0 mm-40 -80.01 -7.62 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.592 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.49 63.17 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.386 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.488 1.783 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -12.91 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.801 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.4 pp -126.21 162.8 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 ' HB ' HH21 ' A' ' 40' ' ' ARG . 41.4 p -128.18 -170.99 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' H ' ' NH2' ' A' ' 40' ' ' ARG . 6.5 t80 -37.38 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -37.81 -51.71 2.0 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.733 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -116.88 -16.49 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.9 -46.97 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.56 -8.96 73.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -97.44 3.31 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -121.13 -42.91 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.818 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.9 mt -46.54 -37.18 7.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.94 -32.52 62.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.52 -29.96 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 45.3 mttp -79.86 -33.96 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -60.86 -53.6 55.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 107.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -66.11 -26.83 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.23 0.18 57.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -80.54 2.18 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.744 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.49 170.94 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.443 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.6 Cg_endo -74.94 -8.25 19.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.14 -40.23 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 mm-40 -87.89 -29.04 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -11.97 56.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -64.17 -56.61 22.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.357 1.036 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -54.96 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.66 -38.33 69.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.83 -27.85 60.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -76.9 -40.01 48.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.66 63.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -7.91 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -39.55 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 1.5 p30 -55.97 -19.14 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -48.88 -33.97 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -38.24 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -66.92 -33.3 75.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 23' ' ' ARG . 3.7 t80 -75.52 -3.09 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -34.58 13.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -45.66 91.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -23.93 60.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -68.99 -28.91 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 mm-40 -62.0 -53.13 59.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -46.66 85.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 4.7 t80 -61.08 -58.95 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.1 -34.21 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -68.58 -24.54 64.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.95 -21.43 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.78 -61.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.48 0.181 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.68 176.85 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 3' ' ' THR . 6.9 t -160.51 103.99 1.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.56 35.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.44 146.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.1 109.27 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.91 34.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -169.48 157.68 7.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.79 164.6 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -153.76 170.31 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 12' ' ' THR . 7.3 m -146.34 -65.76 0.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER 49.46 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.402 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' N ' HG23 ' A' ' 12' ' ' THR . 6.5 mtm180 179.27 151.92 0.37 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.02 -178.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt 59.47 155.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.59 171.18 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.72 143.04 39.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.95 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.411 ' ND2' ' H ' ' A' ' 19' ' ' ASN . 1.4 p30 -65.08 77.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -129.06 161.08 60.31 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.99 152.45 40.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -90.1 55.56 3.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER 38.58 90.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.21 109.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.09 164.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -99.44 153.45 18.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.34 -26.47 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -67.66 -49.17 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -31.67 66.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.4 m-85 -65.57 -53.97 34.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.5 -11.26 59.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -89.54 -46.68 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 1.3 m-80 -45.59 -26.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -33.07 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.759 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.9 m120 -95.69 28.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.34 -12.39 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.24 -26.42 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.2 mp -58.03 -42.63 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.618 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -79.83 -44.35 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.733 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -55.53 -34.57 64.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.3 mt-10 -81.82 -6.71 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.618 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -146.25 63.24 8.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -75.04 -5.97 17.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -14.6 49.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 ' CG ' ' A' ' 50' ' ' GLN . 32.5 pt -111.37 -166.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.3 p -156.82 -179.43 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -40.97 -27.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.399 1.062 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -39.97 -47.44 3.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' CG ' HD12 ' A' ' 46' ' ' ILE . 1.3 pm0 -120.06 -21.31 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.221 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.733 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.5 t -60.19 -46.04 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.04 -13.26 83.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 13.9 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 9.3 mtmt -123.66 -42.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 35' ' ' ASN . 3.9 mt -41.23 -35.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.4 -27.78 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -76.34 -34.3 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.3 mttm -75.54 -32.68 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.82 ' CE3' HD22 ' A' ' 62' ' ' LEU . 64.1 t-105 -64.3 -60.31 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -23.02 32.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.91 -18.81 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -68.21 -9.66 48.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 51.58 173.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.06 -37.13 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 26.3 mm-40 -96.56 -23.58 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -81.14 -31.75 34.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.646 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.2 mt-30 -42.75 -56.81 5.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.08 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.11 -63.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' CB ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tt0 -56.91 -37.72 71.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -53.98 -31.26 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -77.69 -36.93 50.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -73.18 -16.15 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.86 -50.56 9.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -19.2 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.91 -27.14 68.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -47.62 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -41.83 65.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.678 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 11.0 t80 -59.14 -18.4 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -84.96 -18.92 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.05 -51.48 61.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.12 -26.65 61.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -26.49 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -62.49 -40.83 97.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -75.17 -44.75 44.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.898 ' O ' HG22 ' A' ' 91' ' ' THR . 4.0 t80 -50.51 -46.04 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -76.12 -28.74 57.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -67.49 -31.3 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.898 HG22 ' O ' ' A' ' 88' ' ' TYR . 15.0 t -80.57 -4.24 53.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -55.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.423 0.154 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.09 62.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 3' ' ' THR . 5.0 t -100.82 108.01 51.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.767 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -136.85 165.9 24.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.13 144.64 54.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -144.03 124.19 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -171.44 156.9 4.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 115.1 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -62.59 162.32 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -123.24 160.12 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -82.48 159.26 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.79 157.52 16.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 171.29 11.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 112.31 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.4 165.17 13.44 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.25 78.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.039 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -120.71 153.92 57.01 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.6 36.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.61 44.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 48.17 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -44.6 112.77 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.0 mp -61.27 166.07 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.29 155.93 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.153 . . . . 0.0 110.067 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.26 -26.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' SER . 20.2 t80 -70.2 -49.1 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.1 mpp? -62.29 -22.77 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.0 m-85 -71.99 -52.97 14.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.43 -14.28 59.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -86.28 -50.68 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -45.15 -26.51 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 mm-40 -99.17 -31.81 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.1 m120 -96.32 25.34 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.719 ' CD ' HG11 ' A' ' 51' ' ' VAL . 1.2 tmm_? -96.61 4.23 52.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.9 m-20 -112.48 -19.49 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.4 mp -75.34 -37.07 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG12 ' OD1' ' A' ' 43' ' ' ASN . 1.3 t -82.7 -44.08 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.01 -8.65 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.556 ' HB2' HD11 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -144.98 63.0 9.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 -1.07 10.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.82 -12.76 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.871 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.2 pp -123.33 165.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLY . 28.0 p -130.89 -170.3 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 2.4 t80 -37.89 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.19 -48.27 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.603 1.189 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -118.25 -22.09 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.871 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.4 t -60.39 -44.12 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.78 -11.64 73.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.578 1.174 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 0.88 48.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -118.81 -47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 32' ' ' ALA . 4.9 mt -40.74 -37.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.72 -32.28 5.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.64 -32.62 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 62' ' ' LEU . 28.6 mttt -76.46 -35.93 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.844 ' CE3' HD22 ' A' ' 62' ' ' LEU . 65.2 t-105 -60.52 -63.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 107.991 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -52.51 -27.05 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.99 -24.63 30.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.844 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -64.81 -12.08 44.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.21 176.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.0 -10.58 21.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -36.15 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.8 mm-40 -100.19 -24.19 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.548 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -82.8 -17.99 42.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 mt-30 -55.4 -57.27 21.43 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.14 -43.29 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -56.34 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.96 -38.8 73.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.42 -32.79 58.1 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -74.13 -36.64 64.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.53 -12.36 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -21.12 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -85.39 -41.26 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.28 -13.89 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -73.84 -20.4 60.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -98.31 -19.39 17.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -34.27 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.648 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 51.3 t80 -67.98 -12.62 61.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.79 -19.54 30.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.65 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.13 -34.14 68.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -33.49 76.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.229 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.47 -49.92 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -49.07 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.039 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 2.6 t80 -54.88 -43.67 73.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -67.89 -44.27 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.88 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -74.11 -30.91 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.93 99.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.466 0.174 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -165.07 153.26 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 4' ' ' PRO . 2.5 m -49.37 146.53 6.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 3' ' ' THR . 18.5 Cg_endo -74.96 172.67 15.9 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.782 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -132.24 -179.19 5.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.86 88.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 179.48 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.28 170.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -132.83 174.81 9.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -103.56 171.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -61.34 140.36 58.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -118.1 170.56 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 62.43 157.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.76 150.97 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 174.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.26 178.09 4.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.8 136.25 23.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -66.17 76.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.946 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -125.12 159.29 60.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 167.44 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ARG . 11.1 tttp -102.47 56.56 0.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 35.89 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.37 123.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 29' ' ' MET . 97.5 mt -80.77 169.21 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -99.03 153.44 18.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.86 -29.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' SER . 9.8 t80 -67.18 -45.89 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.51 ' HG2' HD22 ' A' ' 25' ' ' LEU . 1.5 mpp? -68.19 -26.04 65.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.0 m-85 -66.98 -45.11 78.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.31 -27.66 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.82 -46.26 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.3 -28.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -104.59 -31.82 9.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.694 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.0 m120 -93.47 28.07 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -98.78 -3.46 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.12 -32.34 6.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.7 mp -56.56 -41.38 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.83 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -80.66 -42.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -29.39 26.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -77.61 -17.94 57.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -102.38 -15.22 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.83 ' ND2' HG12 ' A' ' 39' ' ' VAL . 13.9 p30 -138.53 60.47 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.499 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -15.58 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -99.77 -176.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 46' ' ' ILE . 11.8 p -122.5 -167.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.13 -24.18 62.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.48 -9.55 85.98 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.1 mt-30 -117.48 -12.18 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.402 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -87.15 -47.16 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -6.52 76.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.05 4.35 42.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -121.07 -43.47 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.694 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.6 mt -46.9 -39.17 11.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.07 -31.27 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.28 -31.04 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' O ' HD13 ' A' ' 62' ' ' LEU . 6.6 mmtt -78.64 -31.01 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.461 ' HE3' HD22 ' A' ' 62' ' ' LEU . 54.7 t-105 -63.85 -51.29 65.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -26.59 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.87 3.66 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -80.71 2.75 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.963 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.92 158.6 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.696 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.9 -0.14 9.56 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.963 ' H ' HG23 ' A' ' 63' ' ' THR . 3.4 mm-40 -87.26 -25.2 24.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 8.0 mm-40 -101.74 -28.55 12.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -28.94 32.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -45.61 -56.92 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.28 -57.72 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.67 -32.7 72.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -62.77 -26.11 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -79.37 -39.45 32.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.41 -15.49 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -22.83 56.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -45.74 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -64.74 -12.96 52.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.48 -28.35 69.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -98.89 -36.84 9.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -22.66 40.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 72.2 t80 -80.14 -17.0 53.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.65 -19.62 27.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -40.5 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.48 -16.36 49.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -32.03 31.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 12.2 mt-10 -59.18 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.98 -46.86 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.946 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 5.5 t80 -57.49 -50.66 72.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -69.32 -38.09 78.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -59.25 -23.89 62.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.41 -31.24 24.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.0 104.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.557 0.218 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -167.09 149.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -69.13 113.1 14.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.44 2.36 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.29 165.68 35.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.65 129.01 0.66 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.62 5.17 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' LYS . 8.6 tptt -157.07 -61.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 45.28 -168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 20.1 mtm180 61.19 121.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.2 t -161.53 170.88 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -118.75 -177.38 3.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -164.61 120.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 174.79 126.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.09 7.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 136.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 177.1 169.88 0.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.05 -159.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.452 1.764 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.07 76.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.693 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -138.42 158.77 69.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.32 55.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 51.5 99.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.61 120.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -42.55 163.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.71 157.77 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.9 -28.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 4.5 t80 -65.7 -47.49 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' CD2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -65.38 -30.36 71.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -63.29 -44.06 96.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -26.42 31.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -76.81 -46.4 25.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -50.02 -24.15 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -101.71 -37.22 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.721 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m120 -94.19 29.1 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -91.72 -9.56 43.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.61 -24.4 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.3 mp -60.41 -40.57 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.61 HG12 ' OD1' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -79.23 -44.91 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 47' ' ' THR . 66.8 mtp85 -55.15 -36.67 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -39.12 83.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.6 mm-40 -87.66 -6.31 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.61 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -149.83 62.98 6.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.99 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -13.61 34.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.5 pt -113.39 -170.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.467 HG23 ' C ' ' A' ' 46' ' ' ILE . 20.6 p -155.52 -179.61 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -37.41 -31.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -40.79 -45.72 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.27 2.5 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 HD12 ' A' ' 46' ' ' ILE . 2.2 t -89.31 -41.76 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.187 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 -9.62 84.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -104.9 8.12 34.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.63 -40.67 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -50.42 -34.78 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.86 -30.88 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 86.2 mttt -78.18 -34.8 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -60.18 -52.57 64.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.13 -28.45 69.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.1 9.23 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' THR . 4.1 tp -82.2 4.27 24.06 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.72 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.716 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.07 -1.58 11.43 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 0.5 OUTLIER -86.82 -23.85 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 63' ' ' THR . 19.6 mm-40 -104.06 -28.23 11.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.04 -27.75 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.7 mt-30 -47.22 -56.66 11.57 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -49.57 -59.66 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -60.49 -35.92 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.15 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -76.93 -41.03 45.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -66.16 -18.41 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -16.43 59.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.64 -47.56 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -19.02 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.16 -28.05 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.97 -46.37 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -43.24 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 56.7 t80 -52.77 -19.39 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.92 -20.22 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.52 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.75 -19.82 51.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.25 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -77.19 -34.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -58.17 -38.1 76.0 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -74.96 -44.15 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.802 ' O ' HG22 ' A' ' 91' ' ' THR . 5.7 t80 -53.87 -52.29 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -64.57 -29.66 70.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -66.24 -18.17 65.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 88' ' ' TYR . 1.1 t -87.27 -2.68 58.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.79 175.95 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.563 0.221 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 3' ' ' THR . 10.9 p -101.14 166.0 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.438 ' N ' HG22 ' A' ' 2' ' ' VAL . 25.4 m -54.61 108.21 1.08 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.57 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -179.32 3.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.54 163.85 45.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.64 2.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -141.01 -178.95 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -177.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -166.8 142.35 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -69.21 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 -178.76 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -146.12 148.65 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.47 175.64 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -120.16 -63.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LYS . 3.1 m-20 60.93 122.65 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -158.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.716 ' OD1' HD13 ' A' ' 87' ' ' LEU . 3.1 m-80 41.77 73.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -155.95 150.63 20.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.95 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 40.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.064 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.92 91.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -46.16 107.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.5 mp -63.45 166.29 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -93.35 151.87 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 109.95 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.5 -28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' SER . 16.3 t80 -65.87 -45.21 82.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.65 -32.58 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 43.7 m-85 -64.06 -45.01 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.53 -16.26 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -88.32 -45.67 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.4 m-80 -46.87 -25.67 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.9 mm-40 -102.1 -34.22 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.767 ' HA ' HD12 ' A' ' 38' ' ' ILE . 2.8 m-20 -93.64 26.85 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.13 -16.04 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.49 -14.43 12.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 35' ' ' ASN . 94.3 mt -66.4 -36.09 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -85.41 -43.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -28.63 64.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 1.2 mt-10 -101.56 -5.92 24.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.655 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -153.18 62.9 4.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.05 -0.84 10.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.88 -12.73 38.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 28.2 pt -112.3 -169.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.6 p -146.3 -175.48 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 7.0 t80 -50.34 -36.69 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.99 -38.54 1.24 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -118.48 -19.53 8.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -78.32 -48.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.21 -17.02 73.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -105.38 14.95 28.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 0.715 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -120.5 -40.54 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.1 mt -50.33 -37.56 37.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.49 -34.05 48.52 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.577 1.173 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.15 -29.74 66.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 0.712 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 34.0 mttt -79.5 -32.48 42.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.25 -50.22 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -26.75 65.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.46 -0.14 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -78.93 2.0 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.986 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.12 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.04 -0.65 10.24 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.986 ' H ' HG23 ' A' ' 63' ' ' THR . 2.0 mm-40 -87.0 -24.77 24.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.1 mm-40 -101.98 -28.61 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -82.13 -28.28 32.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -46.71 -56.36 11.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.04 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.56 -59.74 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.4 tt0 -57.6 -37.43 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.38 -27.44 65.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -35.94 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . . . -75.33 -18.1 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -74.29 -23.4 59.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -44.21 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -13.4 62.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.78 -29.54 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -41.81 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -30.36 69.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 35.2 t80 -69.28 -12.62 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -89.12 -20.03 24.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -52.58 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -70.03 -23.8 63.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -70.8 -26.69 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.52 -51.05 68.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.716 HD13 ' OD1' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -68.3 -47.39 67.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.678 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.2 t80 -56.25 -44.58 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -75.08 -40.93 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.46 95.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 87' ' ' LEU . 14.5 t -84.58 -0.19 52.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -98.09 138.7 35.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.438 0.161 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 2' ' ' VAL . 9.6 p -166.37 71.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 11.9 t -172.54 135.78 0.8 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.2 Cg_endo -74.96 59.49 5.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.96 153.71 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -41.78 -55.56 5.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 18.5 Cg_endo -74.99 123.95 8.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.34 176.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -105.72 -170.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -82.04 -77.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -121.38 113.84 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 12' ' ' THR . 8.8 t -118.87 107.49 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -157.55 148.13 21.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.14 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.75 159.87 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.65 158.89 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.55 153.71 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ASN . 18.3 Cg_endo -74.97 -158.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' PRO . 26.2 m120 38.48 71.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.04 156.76 11.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -74.99 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -84.93 52.34 2.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 40.39 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 151.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.3 mp -116.41 168.42 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -88.87 152.86 21.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.45 -29.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.55 -41.5 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.56 -32.5 74.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -63.89 -51.09 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.28 -22.27 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.09 -51.28 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.47 -28.18 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 32' ' ' ALA . 40.2 tt0 -98.67 -36.35 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.86 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.1 m120 -92.8 28.43 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.69 -12.1 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.9 -11.4 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 35' ' ' ASN . 71.6 mt -72.38 -35.03 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.617 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.68 -45.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -58.57 -32.35 68.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 t -65.52 -38.02 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 1.1 mm-40 -88.59 -9.61 51.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.617 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.09 62.93 9.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.08 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -13.32 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' THR . 22.1 pt -114.04 -167.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.8 p -156.69 -179.09 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 1.7 t80 -40.78 -27.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -43.1 -45.35 6.17 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.417 1.073 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.82 -0.51 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -87.78 -49.24 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -73.37 -12.38 79.98 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 13.06 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.716 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -43.51 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.5 mt -46.51 -40.83 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.61 -33.42 26.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.76 -26.41 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttm -79.87 -36.48 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -60.41 -52.79 63.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 107.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -66.08 -27.86 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.36 7.28 45.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -85.56 8.19 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.965 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.63 158.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.704 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.965 ' H ' HG23 ' A' ' 63' ' ' THR . 1.6 mm-40 -88.36 -23.64 23.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.0 mm-40 -100.64 -29.03 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -31.57 31.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.8 mt-30 -43.69 -56.49 7.13 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.96 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -48.3 -55.15 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.064 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.48 -36.58 78.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -57.63 -29.49 64.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -77.62 -36.78 51.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.44 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -20.72 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.86 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.75 -22.7 64.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.5 -24.32 65.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -46.55 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -37.14 61.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 21' ' ' PRO . 88.7 t80 -65.93 -13.5 59.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.1 -19.5 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.08 19.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -74.23 -34.81 63.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -65.4 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -42.56 75.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.97 -49.55 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.651 ' O ' HD23 ' A' ' 92' ' ' LEU . 2.8 t80 -56.83 -47.39 80.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -64.29 -38.92 92.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.621 1.2 . . . . 0.0 109.278 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.11 -21.9 63.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.61 -24.08 56.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 88' ' ' TYR . 0.8 OUTLIER -123.73 115.69 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.456 0.17 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.98 132.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -115.69 88.6 20.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.38 24.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.81 167.14 30.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -154.62 130.03 5.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 179.32 6.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.94 91.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.15 110.45 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -130.49 165.21 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -148.81 108.6 4.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -59.89 123.71 17.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 176.41 119.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -108.95 64.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -92.71 147.25 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 141.79 30.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.56 157.43 5.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.92 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.046 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.8 p-10 -65.26 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.995 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -124.93 145.52 50.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.04 21.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -126.16 58.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 52.53 40.13 29.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 39.41 49.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' ALA . 1.7 mt 55.43 167.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.96 148.6 25.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.61 -28.86 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.57 -45.3 83.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.6 tpp -64.37 -32.99 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -61.16 -46.29 91.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.67 -23.09 34.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.94 -41.06 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.3 m-80 -50.57 -23.07 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.91 -34.92 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.953 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.0 m120 -93.79 27.48 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.38 -13.66 32.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.234 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -113.93 -14.97 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 35' ' ' ASN . 48.1 mt -67.73 -36.59 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.632 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.44 -46.43 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 3.9 ptm180 -56.88 -33.11 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -63.69 -39.02 93.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 4.6 mm-40 -89.34 -6.46 56.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.632 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -148.06 62.52 6.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.01 -0.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -12.56 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 15.5 pt -113.53 -175.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.7 p -148.91 -179.14 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.8 t80 -38.58 -33.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' PHE . . . -37.15 -49.04 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.98 -4.47 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.65 -47.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.47 -10.2 85.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -106.99 12.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.28 -42.73 2.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.727 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.1 mt -47.53 -40.23 18.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.94 -30.61 37.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.7 -33.82 75.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 11.3 mttp -77.34 -32.4 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 75.4 t-105 -60.4 -49.71 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.2 67.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 2.66 56.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -78.58 1.21 23.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.988 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.28 158.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -75.06 1.3 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.988 ' H ' HG23 ' A' ' 63' ' ' THR . 0.6 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 2.9 mm-40 -103.98 -25.81 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -83.3 -37.86 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -40.05 -54.71 4.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.422 1.748 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.6 -60.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.74 -36.81 72.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.59 -32.03 62.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -75.46 -37.8 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.82 -17.9 63.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -15.0 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.38 -45.77 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -18.96 9.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -48.73 -32.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -77.52 -52.66 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.411 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -33.92 60.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.678 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.5 t80 -60.33 -16.94 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.2 -19.23 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -65.21 -52.72 52.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -20.23 61.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -75.46 -26.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 1.7 tt0 -68.43 -32.87 73.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -77.24 -44.68 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.995 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 6.5 t80 -54.07 -51.52 63.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -64.88 -29.98 70.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -65.82 -17.59 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 88' ' ' TYR . 15.0 t -121.42 31.76 6.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.39 -60.47 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.523 0.201 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 1' ' ' MET . 5.7 t -152.27 96.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.2 122.32 1.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -153.01 171.49 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.95 95.84 0.54 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -165.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 179.21 157.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 126.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.82 151.13 37.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -159.09 167.81 28.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -126.68 121.75 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.23 168.67 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.28 -168.61 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.72 108.66 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.81 94.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -131.88 143.02 47.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -74.95 -159.88 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.552 1.817 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -66.4 77.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.073 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -126.96 150.32 71.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.394 1.059 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.02 114.55 4.05 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.462 1.769 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -70.15 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.53 112.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -75.39 57.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' ALA . 1.6 mt 54.47 169.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -120.79 148.58 43.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -39.49 -31.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.5 t80 -63.39 -50.6 69.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.0 mpp? -62.34 -36.33 81.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 111.066 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.68 -37.99 22.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 29' ' ' MET . 2.9 m-80 -69.72 -7.86 42.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.73 -33.58 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -106.52 13.91 27.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -75.6 -7.53 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.536 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -115.47 -10.77 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 35' ' ' ASN . 90.4 mt -76.73 -34.69 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -86.9 -43.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.1 ptm180 -60.48 -28.74 68.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.13 80.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.25 -14.57 25.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.628 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -140.52 61.22 15.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.9 0.21 9.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -11.94 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.539 HD12 HG23 ' A' ' 51' ' ' VAL . 19.6 pt -115.43 -171.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.5 p -149.8 -176.45 5.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -42.46 -26.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.54 -41.53 4.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 5.68 4.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 46' ' ' ILE . 3.0 t -101.39 -37.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -84.14 -2.55 89.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 2.72 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.98 -35.66 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -56.27 -31.57 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.8 -36.19 91.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.91 -30.32 71.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.1 mttt -79.23 -31.93 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -62.41 -48.87 77.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.3 ptpt -67.49 -28.55 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.84 8.45 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.707 ' O ' HG22 ' A' ' 63' ' ' THR . 1.5 tp -81.81 4.48 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 1.003 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 53.75 159.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.05 -1.42 11.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 1.003 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.84 -24.22 25.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.735 ' HG2' HG22 ' A' ' 63' ' ' THR . 15.4 mm-40 -102.05 -29.81 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -83.29 -23.85 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.3 mt-30 -51.7 -56.02 24.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -61.11 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -55.83 -37.28 68.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.06 -32.28 46.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -76.7 -37.93 55.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -19.41 60.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -17.07 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.47 18.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -60.81 -16.01 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -29.82 68.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -80.15 -34.46 37.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -70.24 -38.85 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -61.54 -12.49 15.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.83 -19.27 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 t -58.21 -49.38 77.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.614 1.196 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -69.8 -25.62 63.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -27.13 66.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -45.2 91.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -48.95 67.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.073 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 7.4 t80 -52.39 -46.27 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.0 t30 -74.41 -31.84 62.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.41 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 88' ' ' TYR . 4.7 t -83.14 2.47 35.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 89' ' ' ASN . 14.2 mt -95.13 99.9 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mmm . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.525 0.202 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.522 HG22 ' H ' ' A' ' 3' ' ' THR . 7.7 p -165.59 170.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.522 ' H ' HG22 ' A' ' 2' ' ' VAL . 52.4 m -158.44 115.57 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.18 4.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.34 179.54 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 2.6 pt-20 -178.21 106.72 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.415 1.745 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.37 152.6 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.09 168.25 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -178.53 167.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -166.72 161.64 15.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -125.69 171.44 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.15 127.9 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -178.5 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.4 pttm -126.25 122.25 35.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 1.2 mmtt 170.29 152.48 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER 175.0 160.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.1 p-10 -66.97 77.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.052 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -140.38 149.57 58.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.63 34.38 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -86.02 50.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 46.96 42.72 12.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.766 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 44.35 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.4 mp -114.34 166.35 11.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.363 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.85 153.67 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -43.0 -28.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' SER . 5.1 t80 -66.9 -49.7 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -59.36 -29.97 68.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.7 m-85 -66.92 -44.1 81.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -19.31 46.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.77 -46.19 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.429 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -45.86 -26.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 tt0 -99.22 -35.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.716 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.3 m-20 -93.34 26.13 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -88.72 -12.05 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.59 -12.66 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 35' ' ' ASN . 72.6 mt -70.68 -34.78 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.651 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -84.54 -48.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -57.64 -32.8 67.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.417 1.073 . . . . 0.0 110.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 -28.64 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.68 -10.43 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.651 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.6 61.24 7.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.07 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -12.59 34.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.615 ' CD1' HG23 ' A' ' 51' ' ' VAL . 33.4 pt -112.37 -169.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -140.19 -176.86 4.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 110.422 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CE1' ' NE ' ' A' ' 36' ' ' ARG . 2.3 t80 -56.47 -27.0 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.25 -29.45 22.28 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.42 2.3 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.615 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.1 t -107.14 -40.16 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.575 ' CA ' ' CE1' ' A' ' 48' ' ' PHE . . . -70.94 -26.31 74.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -97.08 11.9 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -113.76 -21.88 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD11 ' O ' ' A' ' 35' ' ' ASN . 17.4 mt -77.2 -19.96 56.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.07 -40.22 62.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -65.57 -28.12 68.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.2 mtpp -79.12 -32.9 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 63.1 t-105 -62.24 -52.05 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.58 3.76 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 63' ' ' THR . 1.3 tp -81.79 5.19 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.43 159.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.723 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 5.0 mm-40 -85.85 -25.46 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 24.5 mm-40 -97.61 -29.38 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.04 -27.98 32.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.0 mt-30 -46.97 -56.48 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.26 -58.83 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 7.3 tt0 -59.0 -36.23 74.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.56 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.0 -40.97 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -64.32 -16.37 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -11.93 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.94 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.5 t0 -53.8 -20.08 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -44.8 -31.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -39.75 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 4.8 mmm-85 -63.07 -33.31 75.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.766 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 6.7 t80 -76.55 -7.43 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -34.66 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 110.247 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t -50.3 -43.88 53.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.29 -21.52 53.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -31.54 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 20.0 mt-10 -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -78.44 -44.89 23.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.052 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 7.3 t80 -56.5 -51.04 69.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -62.13 -31.6 72.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.2 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -63.41 -15.47 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -83.49 1.62 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -114.18 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HB3' HG22 ' A' ' 3' ' ' THR . 8.5 mtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.527 0.203 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 p -73.79 -42.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.572 HG22 ' HB3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -49.84 109.83 1.41 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 110.443 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -67.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.08 167.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -95.03 129.28 36.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -43.95 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.0 140.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.39 175.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -127.01 -52.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m 62.43 156.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -139.96 157.25 45.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 165.66 25.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.79 176.34 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -158.15 125.79 5.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.6 -55.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.01 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.4 p-10 -67.14 77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -120.46 141.25 31.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.13 142.35 27.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -81.78 61.76 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 47.74 43.72 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 43.74 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 1.5 mp -43.97 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.369 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 154.83 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.68 -28.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.61 -45.51 71.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.54 -27.86 69.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.79 -50.65 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CD1' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -75.54 -26.98 58.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -75.17 -53.91 8.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.8 m-80 -46.01 -26.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 tp10 -99.46 -32.95 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.707 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.9 m120 -94.96 24.82 4.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.4 tpp85 -92.23 -8.39 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.509 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 13.3 m-20 -111.63 -17.55 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -69.88 -37.81 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.838 HG11 ' HD3' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -83.27 -45.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 2.1 ptm180 -55.79 -31.65 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.1 t -68.83 -26.38 65.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.8 -12.77 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.663 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -144.81 62.98 9.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 -8.75 20.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -11.59 58.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 31.9 pt -115.92 -175.07 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 49' ' ' GLY . 30.8 p -147.32 -176.78 5.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.401 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -42.04 -26.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -51.2 -27.15 14.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -146.53 18.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.8 -42.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.39 2.32 84.88 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 3.95 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.838 ' HD3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.68 -33.75 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 39' ' ' VAL . 12.0 mt -51.56 -27.21 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.17 -30.3 77.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.82 -32.06 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -77.54 -34.45 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 31' ' ' PHE . 73.6 t-105 -60.62 -46.74 89.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -67.41 -29.27 68.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 0.22 56.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.5 tp -75.62 -4.87 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.883 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 53.09 171.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 -29.16 8.52 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.883 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mt-10 -57.04 -38.72 73.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 63' ' ' THR . 1.9 mm-40 -94.69 -26.95 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -83.43 -5.06 59.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.625 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -71.88 -57.13 4.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.7 Cg_endo -74.91 -39.15 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -58.28 -68.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.62 -33.92 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.18 -35.75 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.29 -35.19 63.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.28 -15.86 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -19.27 58.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.55 -43.68 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.15 -13.42 36.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -64.59 -11.89 39.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' TYR . 1.6 ttpt -117.22 -56.56 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -43.14 -26.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.2 t80 -57.5 -15.45 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -86.87 -36.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -57.72 -44.59 86.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.21 -29.31 60.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.7 -32.84 72.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.28 -47.01 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -68.86 -44.77 72.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.699 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.3 t80 -51.06 -49.47 60.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -74.15 -29.95 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.61 -25.81 63.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 87' ' ' LEU . 69.3 p -92.01 -20.5 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -61.23 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.527 0.203 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 0.5 OUTLIER -176.84 117.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 39.9 p -92.23 152.52 42.58 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.1 Cg_endo -75.03 -168.07 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.88 142.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.17 115.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.229 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.46 2.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 -174.42 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 170.0 2.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 -176.69 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -158.32 174.42 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 1.2 m -150.97 163.96 37.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.2 ttp180 -142.62 169.72 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 -178.0 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -143.44 -57.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.81 174.92 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.34 162.38 19.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.445 1.761 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 6.0 p30 -69.29 76.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 88' ' ' TYR . . . -120.13 129.05 25.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.89 159.99 41.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -132.5 36.64 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -88.8 -171.43 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.691 ' CB ' ' CD2' ' A' ' 81' ' ' TYR . . . 68.68 88.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.18 172.74 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -77.3 145.53 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.928 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . . . -42.52 -33.57 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -68.6 -44.67 73.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -58.52 -30.81 67.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.5 m-85 -67.79 -53.41 27.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.485 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -76.43 -20.22 57.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -81.63 -51.05 8.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.1 -27.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 7.0 mm-40 -98.33 -33.38 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.837 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.1 m120 -92.38 23.12 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -106.86 14.68 26.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 41' ' ' SER . 27.0 m-20 -120.31 -36.56 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 1.192 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.13 -43.67 89.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -87.41 -42.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 61.4 ttt85 -62.41 -25.37 67.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.078 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 28.5 t -76.54 -32.43 58.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 6.7 mt-10 -90.98 -6.62 53.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.564 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -146.81 62.08 7.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.02 -4.55 15.56 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.427 1.751 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -13.98 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.508 HD12 ' CG ' ' A' ' 50' ' ' GLN . 31.8 pt -110.6 -168.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 46' ' ' ILE . 22.4 p -156.34 -176.56 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -38.92 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -45.46 -44.32 11.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.81 0.5 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.65 -42.85 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.19 -17.75 68.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -0.76 57.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -111.26 -35.33 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.837 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.7 mt -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.21 -30.33 54.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.11 -26.6 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' HD13 ' A' ' 62' ' ' LEU . 12.7 mttm -81.37 -34.85 31.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.47 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 59.8 t-105 -61.49 -51.84 66.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -66.6 -28.45 68.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.34 -0.95 57.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -82.25 4.6 22.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 1.019 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 54.1 159.15 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 0.36 9.0 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 1.019 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.86 -27.37 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.49 -30.69 13.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.02 -26.72 33.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.49 -56.81 11.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.41 1.742 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.68 -56.17 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 27' ' ' ALA . 46.3 tt0 -63.27 -34.62 78.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.3 67.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -77.81 -37.47 48.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.37 -15.31 62.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -16.41 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.69 -46.99 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -22.52 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -71.26 -6.53 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -109.21 -39.77 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -13.86 61.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CD2' ' CB ' ' A' ' 24' ' ' ALA . 4.0 t80 -82.29 -17.02 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -80.39 -18.47 48.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -69.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 69.9 mm-40 -61.97 -31.54 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.214 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.75 70.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.213 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -50.09 75.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -47.02 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE2' ' HB1' ' A' ' 20' ' ' ALA . 1.8 t80 -58.06 -57.05 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -54.08 -29.91 46.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -83.9 1.03 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.49 99.6 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.478 0.18 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.79 124.79 44.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -103.45 142.14 23.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.05 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.69 155.04 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -128.32 124.93 23.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -172.31 164.69 5.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.61 175.59 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.22 175.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.9 m -156.96 141.37 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -130.62 161.11 32.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -178.77 154.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -176.34 159.21 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -172.24 2.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 177.96 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.51 150.33 65.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -65.82 76.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.879 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.77 152.36 80.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.09 132.66 15.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.1 101.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.761 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -69.05 102.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.73 168.49 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -82.93 149.93 26.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -42.65 -30.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 26' ' ' SER . 14.2 t80 -67.82 -46.12 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.1 mpp? -57.0 -33.51 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -65.24 -57.79 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.583 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.83 -24.21 66.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.56 -51.14 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.49 -28.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.3 mm-40 -98.87 -36.18 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.917 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m-20 -92.64 28.3 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.218 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.86 -13.28 24.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.519 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.2 m-20 -116.0 -10.48 11.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 35' ' ' ASN . 72.0 mt -74.54 -34.27 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.614 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -85.52 -43.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -58.18 -31.96 67.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -64.24 -38.78 92.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 1.8 mm-40 -88.62 -9.03 53.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.614 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -145.62 62.72 8.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.98 -0.76 10.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -12.16 40.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 51' ' ' VAL . 13.9 pt -114.73 -174.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 49' ' ' GLY . 22.6 p -148.49 -177.15 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -42.42 -27.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -47.14 -40.28 13.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.88 3.71 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 110.378 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 46' ' ' ILE . 2.3 t -95.05 -46.51 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.07 80.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -103.96 14.06 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -41.21 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.917 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.4 mt -50.68 -37.99 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.73 -29.29 12.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.41 -30.53 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' LEU . 22.9 mttt -78.9 -35.87 42.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -59.23 -52.36 66.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -29.03 69.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.68 -7.24 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' LEU . 2.9 tp -73.78 -4.54 35.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.35 171.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.94 -29.0 8.79 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.919 ' H ' HG23 ' A' ' 63' ' ' THR . 1.7 mt-10 -57.92 -36.94 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 63' ' ' THR . 10.0 mm-40 -96.4 -27.78 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -4.35 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -71.95 -57.32 4.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.04 -39.37 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -57.32 -66.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.36 -38.44 66.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.73 -31.95 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -76.66 -35.7 57.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -73.95 -17.13 61.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -21.28 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.72 -45.63 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -20.93 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -23.56 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -38.94 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -45.83 79.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.761 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 69.0 t80 -58.52 -16.54 15.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.63 -19.5 23.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 p -83.01 -45.04 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.073 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.56 -36.36 73.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -37.48 80.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 3.1 tt0 -56.81 -43.11 80.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.3 -47.29 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.879 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 2.3 t80 -58.58 -44.05 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -74.93 -32.69 61.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -69.34 -37.6 77.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 88' ' ' TYR . 3.7 t -81.0 -6.27 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 88' ' ' TYR . 1.1 mp -79.2 99.57 7.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.525 0.202 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.42 178.86 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 m -152.95 135.6 9.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.365 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -173.32 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.16 -177.52 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -149.92 122.81 4.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.02 176.68 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.11 -179.34 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.67 177.86 10.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -143.03 142.67 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -111.18 131.18 55.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -104.68 152.04 22.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -123.07 171.0 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -167.29 168.72 13.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -172.54 179.44 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.36 161.98 27.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -159.77 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.0 p-10 -68.74 76.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -141.57 142.55 26.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.158 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.98 107.73 2.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.633 ' HE2' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.8 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 43.84 48.48 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.58 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . . . 42.24 36.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD21 ' HE2' ' A' ' 22' ' ' LYS . 30.6 mt 53.42 172.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -135.12 149.53 50.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -46.93 -30.15 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.51 -37.23 79.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.564 ' SD ' HD23 ' A' ' 25' ' ' LEU . 3.2 ttm -77.33 -19.52 56.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -72.27 -47.65 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -83.64 -20.67 33.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -78.13 -45.37 23.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -43.12 -28.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.1 mt-10 -99.58 -34.93 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.6 m120 -91.64 26.22 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.99 -17.62 24.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.17 -13.89 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 35' ' ' ASN . 95.1 mt -67.02 -35.15 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.684 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -83.82 -43.31 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -37.1 71.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -63.87 -30.76 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.545 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 3.8 mm-40 -96.13 -5.46 40.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.684 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -152.68 61.48 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 -0.26 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -90.4 -17.47 27.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.607 HD12 HG23 ' A' ' 51' ' ' VAL . 39.3 pt -106.24 -169.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -144.05 -176.06 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.466 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 18.3 t80 -55.11 -29.48 57.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.33 -29.29 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.05 4.82 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 0.74 . . . . 0.0 110.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.607 HG23 HD12 ' A' ' 46' ' ' ILE . 2.9 t -109.55 -39.52 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -81.79 -15.09 76.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -105.94 13.89 28.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -116.5 -37.42 3.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.6 mt -50.74 -27.75 7.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -26.37 53.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.98 -29.85 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 9.2 mttm -78.61 -37.7 41.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.542 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 47.6 t-105 -58.56 -55.27 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -62.58 -28.38 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.3 7.65 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 ' O ' HG22 ' A' ' 63' ' ' THR . 3.0 tp -85.23 8.14 19.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 1.0 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.68 157.95 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.679 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.574 1.828 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 1.0 ' H ' HG23 ' A' ' 63' ' ' THR . 1.4 mm-40 -89.72 -23.96 21.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.705 ' HG2' HG22 ' A' ' 63' ' ' THR . 4.2 mm-40 -99.34 -28.91 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.233 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 1.1 ttpp -82.72 -33.1 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -43.65 -55.47 8.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -75.04 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.622 1.853 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -46.6 -55.28 7.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 21.7 tt0 -62.68 -34.92 78.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -60.72 -28.98 69.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -39.86 59.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -66.16 -16.95 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -14.57 60.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.23 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -20.87 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -24.35 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -87.98 -50.27 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -51.59 -37.11 48.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 5.7 t80 -61.64 -12.52 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.28 -19.0 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.3 m -87.1 -44.34 11.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.12 -33.37 75.3 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -58.44 -30.45 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.49 -52.45 63.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.59 -46.73 89.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.62 ' O ' HG22 ' A' ' 91' ' ' THR . 7.0 t80 -59.81 -56.64 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -56.39 -31.88 64.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.24 -16.41 63.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -85.75 -16.07 40.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.7 pp -145.58 69.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.517 0.199 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 p -171.38 119.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -126.52 158.51 67.23 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 18.5 Cg_endo -74.98 56.44 4.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mtm180 164.11 97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.99 164.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.52 -65.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -59.59 -68.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 65.33 20.57 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 m -79.68 -62.8 1.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -96.29 126.38 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 144.06 8.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 163.72 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.98 155.56 39.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 121.5 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.72 143.21 46.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.02 -159.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.566 1.824 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.4 p-10 -65.85 76.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -112.78 169.0 6.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.07 158.07 42.13 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -81.33 124.1 29.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.17 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' A' ' 81' ' ' TYR . . . -62.53 89.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mp -45.44 161.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.9 155.36 21.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.65 -30.64 9.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 9.0 t80 -65.53 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mmt -71.09 -34.42 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -62.77 -52.83 61.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.649 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -74.58 -18.53 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' TYR . . . -80.29 -42.65 22.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.88 -19.2 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.66 -33.52 8.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.687 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.2 m-20 -91.62 20.8 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -2.91 49.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.66 -19.51 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -70.36 -37.81 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -81.86 -54.87 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -49.22 -31.41 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -73.33 -36.91 66.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.28 -10.87 51.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 46' ' ' ILE . 8.4 p30 -152.13 68.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 1.41 7.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.69 -21.81 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 43' ' ' ASN . 43.2 pt -102.45 -177.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 12.5 p -148.73 174.27 12.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' THR . 19.4 t80 -37.92 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -41.16 -41.83 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -124.95 -20.37 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 46' ' ' ILE . 3.8 t -67.65 -37.75 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.6 -17.88 72.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -105.13 16.2 26.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 0.723 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -41.68 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 35' ' ' ASN . 5.5 mt -42.82 -38.04 2.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.06 -27.79 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.78 -39.22 61.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.3 mmtt -71.62 -31.58 67.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.874 ' CE3' HD22 ' A' ' 62' ' ' LEU . 57.9 t-105 -62.75 -62.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -53.41 -24.4 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.64 -24.79 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.874 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -65.55 -11.3 42.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.48 174.18 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.703 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.01 -12.31 21.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.37 -44.78 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.7 mm-40 -87.51 -25.38 23.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.46 -25.76 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -47.94 -56.79 12.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.592 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -49.56 -59.04 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.8 -34.53 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.66 -36.26 61.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -74.57 -36.8 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -74.56 -14.76 60.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -21.27 56.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.59 -46.2 17.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -19.85 65.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -66.13 -28.85 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.81 -40.6 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -44.63 93.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.763 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 8.5 t80 -66.88 -7.87 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -51.77 68.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -24.8 64.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.405 ' CA ' ' HG3' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -66.97 -26.76 66.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -50.25 74.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -46.48 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.177 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.782 ' O ' HG22 ' A' ' 91' ' ' THR . 3.9 t80 -55.04 -47.56 74.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.718 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.9 t30 -73.01 -22.41 60.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.1 -22.72 55.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 88' ' ' TYR . 1.9 t -89.13 -5.69 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 89' ' ' ASN . 20.1 mt -90.62 173.9 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 m -98.13 -167.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.46 99.91 2.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 160.75 39.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 ptt85 -153.36 -175.56 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.07 104.17 0.21 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.247 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -155.27 -176.5 5.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.86 -173.55 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 174.87 174.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -141.3 158.82 43.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -133.39 173.28 11.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -152.09 174.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.64 149.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -162.66 155.63 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 -179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.49 159.83 35.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.9 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.8 p-10 -65.74 76.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.376 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.959 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -136.38 153.96 76.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 143.32 29.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.426 1.75 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -70.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 172.94 86.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.8 116.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.62 159.76 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.62 152.78 27.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.52 -30.67 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.52 -31.39 72.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.26 -44.81 74.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.79 -43.56 90.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.02 -23.93 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.43 -57.33 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.209 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.42 -26.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.2 mm-40 -92.1 -42.75 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.929 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.0 m120 -92.58 26.88 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -91.04 -4.73 56.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.35 -24.39 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 35' ' ' ASN . 22.5 mt -61.04 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -88.2 -46.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -27.05 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -69.93 -18.85 63.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.08 -16.09 13.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.552 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 16.2 p30 -138.92 57.45 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -9.59 59.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 2.2 pp -130.08 175.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . 40.2 p -130.26 -172.81 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -39.84 -27.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -46.36 -32.07 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.653 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -136.43 9.62 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -102.9 -45.1 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -64.02 -24.71 68.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -0.09 52.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 0.718 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 39' ' ' VAL . 3.6 tttt -111.88 -25.1 9.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 55' ' ' LEU . 13.9 mt -78.99 -27.38 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.1 85.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -61.86 -27.64 68.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 0.735 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 2.6 mmtt -81.62 -33.09 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.528 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 65.5 t-105 -62.07 -49.43 76.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -30.17 69.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.25 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -77.84 1.15 21.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.98 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.12 157.65 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.673 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.98 0.33 9.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.42 1.747 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.98 ' H ' HG23 ' A' ' 63' ' ' THR . 0.4 OUTLIER -89.5 -22.16 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.0 mm-40 -103.84 -31.01 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.528 ' HD2' ' CE2' ' A' ' 59' ' ' TRP . 24.0 mtmt -80.54 -33.35 36.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -39.9 -56.99 2.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.02 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.47 -61.06 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LYS . 35.4 tt0 -53.35 -39.67 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.47 -30.18 60.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -76.36 -35.88 58.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.89 -18.72 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -20.8 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.53 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -18.98 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -74.66 -25.63 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -35.32 19.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -46.64 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 76.5 t80 -56.01 -17.97 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.78 -19.57 25.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.8 -46.4 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.51 -34.43 72.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -61.09 -36.12 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -60.32 -49.13 78.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.06 -46.71 67.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.959 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.8 t80 -56.43 -46.41 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.674 ' HA ' HD12 ' A' ' 92' ' ' LEU . 11.2 t-20 -74.64 -20.23 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.337 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -75.89 -20.67 57.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 88' ' ' TYR . 13.4 t -98.99 16.71 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.35 -60.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.563 0.221 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 m -116.62 156.67 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 3' ' ' THR . 3.3 t -171.5 66.65 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 155.86 42.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 144.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.53 92.36 0.2 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 177.33 8.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -170.31 154.01 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.91 156.06 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 175.89 143.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.62 HG21 HH21 ' A' ' 13' ' ' ARG . 3.2 m -162.35 122.16 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -142.31 129.12 20.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.62 HH21 HG21 ' A' ' 11' ' ' THR . 3.2 ptp180 -161.29 139.67 9.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttm 175.94 174.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.92 155.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.87 163.06 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 173.27 142.17 0.16 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.432 1.754 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.1 p-10 -68.78 77.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.67 148.16 68.98 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.93 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 50.53 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 62.81 117.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 81' ' ' TYR . . . -79.37 55.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 25' ' ' LEU . 6.5 mp 54.68 170.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -120.47 155.71 32.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -28.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 6.1 t80 -65.55 -45.54 82.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 tpp -64.86 -32.01 73.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -62.24 -45.21 94.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -81.52 -24.68 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -79.33 -49.8 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -41.28 -29.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -100.74 -32.63 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.937 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.9 m120 -95.12 29.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -96.89 -13.31 22.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.7 m-20 -117.39 -7.4 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 35' ' ' ASN . 59.0 mt -76.63 -34.02 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.637 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.6 OUTLIER -84.91 -45.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 8.5 ptm180 -56.04 -30.21 61.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -40.29 92.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 3.3 mm-40 -88.0 -5.44 58.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.637 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.87 61.62 5.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.382 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.93 -1.61 11.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.053 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.27 -15.47 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 43' ' ' ASN . 35.1 pt -109.08 -169.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.9 p -146.18 -175.56 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 19.7 t80 -52.94 -33.64 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.72 -37.52 2.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.68 -21.09 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -77.37 -47.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -72.03 -16.45 76.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 16.14 26.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -125.31 -43.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.937 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.9 mt -44.28 -41.12 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.02 -33.95 22.6 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.68 -31.51 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 6.7 mmtt -79.13 -40.72 30.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 73.1 t-105 -53.98 -43.15 69.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.87 57.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -91.51 4.47 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 63' ' ' THR . 1.6 mp -80.38 3.79 20.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.981 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.21 156.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.645 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.04 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.981 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mm-40 -87.95 -26.78 22.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -104.15 -27.87 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -33.55 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -40.6 -56.08 3.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -57.4 4.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.15 -36.4 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -54.59 -29.98 53.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -43.05 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -68.46 -21.3 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -16.72 60.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.44 20.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -16.12 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -63.55 -22.43 66.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.31 -37.84 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 4.5 ttm105 -71.4 -30.59 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 2.8 t80 -69.25 -9.18 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.22 -20.24 32.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -51.92 65.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.47 -22.75 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -72.02 -28.6 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 24.7 tt0 -60.61 -46.68 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -67.6 -47.94 68.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.921 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 3.7 t80 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -70.1 -23.46 63.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -82.77 -29.11 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -86.95 3.37 46.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.69 -63.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.572 0.225 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' C ' HG23 ' A' ' 3' ' ' THR . 10.8 m -123.99 165.0 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 2' ' ' VAL . 52.5 p -153.6 88.0 3.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.56 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -176.39 160.51 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER 174.71 101.21 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.56 158.04 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 156.53 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 179.72 156.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -173.48 172.15 3.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 HG22 ' N ' ' A' ' 13' ' ' ARG . 4.2 m -138.58 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' HG22 ' A' ' 12' ' ' THR . 1.3 tpm_? -163.46 113.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -115.01 152.41 32.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.45 -175.63 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 26.4 pttt -108.27 -50.02 3.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 4.7 m-20 64.54 150.58 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -159.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -68.22 77.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.967 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -130.22 153.49 81.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.42 20.29 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.23 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.86 101.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 29' ' ' MET . 80.5 mt -52.52 168.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -98.91 150.21 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.16 -29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' SER . 4.3 t80 -65.32 -49.64 68.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.809 ' HG2' HD22 ' A' ' 25' ' ' LEU . 2.5 mpp? -56.23 -36.25 68.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CE1' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -75.47 -29.87 59.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -76.46 -53.7 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.81 -27.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' ALA . 30.2 tt0 -98.84 -37.58 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.835 ' O ' HD11 ' A' ' 55' ' ' LEU . 2.7 m120 -93.91 30.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.91 -14.04 35.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.534 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m-20 -117.04 -9.51 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 35' ' ' ASN . 70.8 mt -73.41 -34.07 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.657 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -85.19 -46.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 ptm180 -57.13 -33.08 67.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -64.89 -37.79 88.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 5.2 mm-40 -90.42 -6.75 54.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.657 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.38 62.78 6.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.0 Cg_endo -75.03 0.18 9.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.799 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -12.76 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.513 HD12 HG23 ' A' ' 51' ' ' VAL . 19.4 pt -113.33 -179.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 49' ' ' GLY . 7.6 p -142.57 177.37 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -40.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -44.92 -44.72 8.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -1.98 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 46' ' ' ILE . 1.7 t -86.25 -49.88 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.25 -14.2 76.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.068 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.92 14.23 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -120.98 -41.5 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.0 mt -49.19 -36.47 19.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.35 -29.29 37.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.62 -28.79 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 39.4 mttm -79.54 -36.38 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 48.8 t-105 -60.89 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -67.31 -24.05 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.24 5.83 50.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.4 tp -82.12 6.04 17.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.13 171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.491 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.02 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.555 1.818 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.3 mt-10 -83.58 -21.75 32.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.766 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -119.51 -11.5 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.365 1.041 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -92.39 -27.12 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.793 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.8 pt20 -74.89 -32.82 1.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.04 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.442 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 1.7 m-85 -61.39 -48.41 81.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 19.3 tt0 -60.52 -33.27 72.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -64.94 -34.18 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -36.7 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.88 61.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -18.46 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.94 -45.91 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.93 -21.96 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.5 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -38.52 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -44.57 93.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.605 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 67.8 t80 -56.65 -17.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.67 -18.96 29.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -73.34 -41.27 63.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.94 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.99 -18.67 46.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -30.11 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -60.35 -50.59 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.8 mm? -63.69 -48.61 76.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.967 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.7 t80 -54.69 -49.28 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -63.34 -29.32 70.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -70.41 -22.44 62.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.1 -20.24 41.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.23 173.38 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.952 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.511 0.196 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.71 110.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -92.91 158.34 37.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.363 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.22 39.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -123.37 -56.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.23 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 176.76 147.96 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 18.3 Cg_endo -74.98 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.8 mmtt 170.52 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -73.12 -176.42 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.91 159.14 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -146.0 174.19 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -130.37 134.26 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.81 130.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -160.58 79.87 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 176.7 111.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttp 40.67 80.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.49 167.29 17.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.385 1.729 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -64.23 76.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -119.11 169.14 8.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.635 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.82 106.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.222 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.95 120.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.35 167.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.12 154.73 17.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.44 -30.82 13.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -63.24 -32.11 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.24 -48.91 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -52.07 -39.51 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.431 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -81.5 -25.47 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -78.15 -48.35 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -44.75 -27.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 4.7 tt0 -101.64 -32.75 10.19 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.795 ' O ' HD21 ' A' ' 55' ' ' LEU . 3.2 m120 -99.81 33.91 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.9 mmt180 -107.88 3.78 24.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.86 -39.67 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.03 -36.52 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.614 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.72 -42.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -57.62 -30.91 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 t -72.31 -33.53 67.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -87.83 -8.86 55.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 110.238 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.614 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -147.9 63.41 7.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.243 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -11.3 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -108.23 -175.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 46' ' ' ILE . 62.3 p -127.62 -172.22 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 8.4 t80 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.29 -7.91 47.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -117.12 -11.77 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.9 t -88.72 -44.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.92 69.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -4.85 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 109.247 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.29 -42.44 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.795 HD21 ' O ' ' A' ' 35' ' ' ASN . 8.5 mt -48.91 -38.91 24.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.13 -26.09 48.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.82 -29.98 56.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.674 ' O ' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -82.09 -31.75 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.901 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -63.05 -48.16 79.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -71.23 -26.97 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.35 4.38 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 58' ' ' LYS . 1.1 mp -83.14 -2.74 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.66 ' CG2' ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 55.2 167.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.561 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.6 Cg_endo -75.03 15.3 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.66 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.0 mm-40 -97.16 -41.08 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 40.1 mm-40 -89.25 -25.06 21.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLU . 10.0 ttpt -84.98 -38.61 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 2.1 mt-30 -39.62 -54.04 4.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.3 Cg_endo -75.04 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -51.1 -59.03 4.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -52.71 -41.31 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.35 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -71.88 -35.75 69.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -13.98 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -73.9 -25.82 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -41.83 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.601 1.188 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -22.9 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -30.42 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -86.4 -35.6 19.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.52 -40.85 88.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.665 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -56.47 -17.23 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -76.79 -19.42 57.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 p -56.26 -50.91 70.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.958 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.67 -16.35 59.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.485 ' CA ' ' HG3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.316 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 61.6 mt-10 -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.95 -45.74 33.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 91' ' ' THR . 3.6 t80 -56.44 -53.88 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.14 -15.5 56.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -75.09 -27.58 59.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.55 -59.62 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.38 1.05 . . . . 0.0 109.306 179.972 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.529 0.204 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.99 143.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m -122.57 81.44 47.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -178.57 128.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.2 115.33 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.04 2.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.64 141.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.8 178.41 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.74 161.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -169.56 140.55 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -148.55 157.95 43.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -175.77 168.45 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 -177.61 4.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -144.33 80.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 118.14 29.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -151.18 147.96 21.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -159.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.1 p-10 -67.56 77.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.83 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -132.87 152.84 80.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -75.06 114.86 4.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -66.83 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 5.2 ptt180 170.78 115.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -39.62 122.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -45.76 165.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.89 154.5 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.06 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.56 13.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.76 -32.14 73.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mmt -69.61 -47.71 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -52.88 -42.3 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -78.45 -29.74 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -73.8 -52.16 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.91 -23.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -38.81 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.871 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.6 m120 -96.18 30.73 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 1.4 tmm_? -92.64 -15.2 27.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -116.22 -10.76 11.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 35' ' ' ASN . 73.2 mt -71.85 -34.98 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -84.82 -46.74 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.3 ptm180 -56.19 -33.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.4 t -63.74 -34.19 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.5 mm-40 -93.56 -6.05 47.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.626 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.41 61.95 6.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.98 0.41 8.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -14.56 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' VAL . 36.8 pt -110.18 -171.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -142.18 -175.81 4.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.552 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 3.1 t80 -54.96 -30.13 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.78 -36.86 6.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.55 -21.99 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.272 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -76.71 -49.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -68.44 -17.73 70.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.44 15.39 28.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.17 -42.6 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.871 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.0 mt -46.43 -39.18 10.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.4 -29.8 17.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.448 1.092 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.6 -28.12 58.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 0.825 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 8.2 mtpt -80.78 -39.92 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.6 t-105 -56.75 -49.46 75.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -70.22 -26.09 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.28 8.4 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' CD2' ' CD1' ' A' ' 31' ' ' PHE . 1.7 tp -84.76 4.23 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.869 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 53.23 169.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.869 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.97 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.589 1.837 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.4 mt-10 -82.97 -22.51 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.259 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -118.68 -11.69 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 tttm -92.01 -27.15 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.787 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.5 pt20 -74.8 -32.52 1.34 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.06 -55.41 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -51.15 70.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.55 -33.55 72.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.62 -33.73 74.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 -12.92 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.64 59.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.6 -42.02 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -19.15 47.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.93 -25.3 68.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -34.16 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -67.1 -40.74 86.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.655 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 12.6 t80 -58.77 -14.99 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -82.93 -19.86 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -49.36 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -15.64 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 21' ' ' PRO . 2.4 tmtm? -80.41 -28.79 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.27 -50.84 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -46.56 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.83 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 6.7 t80 -57.35 -54.69 43.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -63.95 -33.13 75.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.86 -26.4 66.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -25.35 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -57.16 14.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.973 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.487 0.184 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.78 -177.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 4' ' ' PRO . 17.3 m -143.88 144.96 28.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 3' ' ' THR . 18.1 Cg_endo -74.96 162.54 37.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.97 145.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.43 103.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.04 147.59 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.91 136.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.61 158.28 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -157.44 144.32 18.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -138.75 132.19 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 151.68 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -170.7 176.82 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.7 -67.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.95 171.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.73 163.07 17.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -68.98 77.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.07 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -138.82 141.77 31.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.72 35.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -70.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ALA . 5.1 ttm180 179.71 40.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB2' ' CB ' ' A' ' 81' ' ' TYR . . . 39.85 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.885 HD22 ' HG3' ' A' ' 29' ' ' MET . 1.3 mt -50.4 179.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -122.02 157.54 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HB3' ' HZ2' ' A' ' 59' ' ' TRP . . . -43.79 -27.25 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' HA ' ' CE2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.31 -57.47 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.885 ' HG3' HD22 ' A' ' 25' ' ' LEU . 5.8 tmm? -52.22 -45.74 65.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 58.5 m-85 -50.11 -46.85 54.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.751 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -80.05 -17.57 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -80.76 -52.93 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -42.47 -28.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 mm-40 -98.36 -32.98 11.24 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.735 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.9 m120 -97.22 30.79 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.586 ' CD ' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -104.36 12.03 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.32 -38.55 2.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.408 1.067 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.9 mp -57.79 -37.09 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.698 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.95 -43.64 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -58.34 -37.19 74.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -62.25 -43.56 98.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.63 -10.17 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 39' ' ' VAL . 1.7 m120 -138.52 60.09 19.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 1.51 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -18.16 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.1 pt -102.09 177.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -121.01 -169.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -65.95 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.92 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.63 -8.42 60.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.81 -13.75 10.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' CD ' ' A' ' 36' ' ' ARG . 1.4 t -82.91 -42.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.69 -20.76 70.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -79.62 -4.86 53.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 0.828 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' HG11 ' A' ' 39' ' ' VAL . 10.1 tttt -120.18 -46.87 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.8 mt -48.73 -44.17 38.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.16 -31.8 8.88 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.01 -36.27 83.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.5 mttt -75.86 -29.93 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 31' ' ' PHE . 32.2 t-105 -61.49 -60.34 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -60.93 -24.25 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -88.99 -1.65 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.384 1.052 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 70' ' ' TYR . 3.1 tp -80.52 3.38 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.84 168.61 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.01 -24.17 13.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.952 ' H ' HG23 ' A' ' 63' ' ' THR . 2.3 mm-40 -60.11 -37.75 80.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 4.5 mm-40 -91.87 -25.71 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -82.18 -14.96 54.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.521 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -59.35 -58.4 19.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.99 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.55 -58.31 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -59.05 -37.35 76.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.75 -24.06 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -82.51 -52.84 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' N ' ' A' ' 27' ' ' ALA . . . -60.96 -17.27 50.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -16.62 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.47 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -16.19 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -62.32 -27.32 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -88.42 -26.91 21.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 2.2 mtp180 -69.95 -47.42 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.74 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 3.1 t80 -57.73 -15.44 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -34.66 16.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.84 84.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.32 -24.3 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -29.14 68.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -47.9 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.21 -46.9 66.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.07 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.3 t80 -54.74 -47.1 74.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -70.42 -39.1 74.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.04 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -31.3 48.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -61.59 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.78 174.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 2.1 t -47.64 147.8 2.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.5 Cg_endo -75.04 121.82 6.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 154.55 39.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -128.56 89.73 48.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.44 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -170.11 61.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -171.18 169.94 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.06 105.01 17.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -163.75 148.02 10.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -129.3 98.69 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.77 125.3 39.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -179.96 98.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -151.74 -63.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -71.54 77.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.226 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.24 91.28 0.93 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' C ' ' ND2' ' A' ' 19' ' ' ASN . 18.1 Cg_endo -74.98 -158.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 18' ' ' PRO . 5.3 p30 40.29 72.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -148.24 155.01 43.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.34 14.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.71 34.57 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 62.36 92.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -54.48 130.87 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.98 169.69 8.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -90.22 145.72 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -40.83 -30.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' SER . 12.6 t80 -67.87 -47.46 68.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 mpp? -62.0 -31.08 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -62.5 -54.88 33.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.46 -26.33 58.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.68 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.1 m-80 -48.94 -24.88 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -106.41 -29.86 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.881 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m-20 -93.9 28.27 2.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' NE ' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.46 -16.68 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.52 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.2 m-20 -117.61 -8.23 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 35' ' ' ASN . 62.5 mt -74.69 -34.1 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.687 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -85.21 -45.87 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 7.9 ptm180 -57.03 -33.23 66.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -60.74 -37.94 83.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.58 -11.3 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.877 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -141.5 59.29 9.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.03 6.21 3.54 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -21.94 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.915 HD11 HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -97.55 -177.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' HG12 ' A' ' 46' ' ' ILE . 33.3 p -124.73 -179.23 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 1.1 t80 -60.86 -18.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.87 -13.14 83.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -117.05 -18.29 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.915 HG23 HD11 ' A' ' 46' ' ' ILE . 1.9 t -89.29 -44.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.57 -18.77 75.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.48 16.89 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' GLU . 2.8 mttp -129.17 -43.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.881 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.1 mt -42.44 -45.49 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.96 -35.84 8.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mt-10 -66.59 -30.02 70.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 17.5 mmtt -78.85 -40.9 31.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.428 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 63.9 t-105 -53.94 -45.23 71.18 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -73.88 -25.24 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.74 -7.42 58.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' CG ' ' A' ' 66' ' ' GLU . 1.9 mp -74.39 -2.03 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.943 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.38 169.97 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.458 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -74.98 -27.92 9.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.943 ' H ' HG23 ' A' ' 63' ' ' THR . 2.7 mt-10 -59.49 -45.89 90.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' OE1' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -90.44 -27.85 19.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 63' ' ' THR . 18.8 ttpt -83.37 -6.22 59.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 3.0 mt-30 -67.54 -57.06 10.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.92 -41.34 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.619 ' CD2' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -53.26 -61.69 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 29.5 tt0 -63.34 -35.35 80.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -58.12 -26.97 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -79.59 -41.91 26.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -69.17 -18.1 63.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -21.89 57.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.242 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -40.73 44.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.45 -12.67 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -72.69 -26.9 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.0 -11.08 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -26.41 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.747 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 41.3 t80 -78.9 -17.23 55.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.01 -19.2 25.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -48.92 15.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -32.74 69.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -64.06 -36.68 84.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -53.99 -37.59 64.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -47.35 16.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.671 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 1.2 t80 -59.08 -39.45 82.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.19 -42.77 59.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.74 62.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.99 -32.22 39.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 92' ' ' LEU . 3.0 pp -121.37 61.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.911 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.496 0.189 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -99.27 136.8 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -126.06 88.52 54.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.346 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 169.84 132.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.08 85.66 2.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 160.06 40.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 174.23 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tptt -97.4 66.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.29 130.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 t -150.11 131.22 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 12' ' ' THR . 6.5 t -113.58 47.48 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.38 172.14 7.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 5.2 pttm -97.39 -38.66 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 12.7 mttt 66.29 149.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -76.4 178.22 6.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.09 144.86 25.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.6 p-10 -65.49 77.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.923 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -119.12 176.02 1.91 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.795 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.02 151.87 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -86.61 47.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' CG ' ' C ' ' A' ' 22' ' ' LYS . 7.1 ptm180 38.1 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -61.1 143.48 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -102.03 166.91 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -91.97 151.59 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.96 -30.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' N ' ' C ' ' A' ' 26' ' ' SER . 11.9 t80 -64.54 -50.07 68.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.9 mpp? -55.69 -40.87 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -55.64 -51.48 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -72.01 -22.8 61.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HA ' HD13 ' A' ' 55' ' ' LEU . . . -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' MET . 27.7 m120 -56.84 -20.21 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -102.75 -39.15 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.827 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.2 m-20 -95.46 28.86 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -16.47 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -10.58 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 35' ' ' ASN . 86.8 mt -69.72 -35.19 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.631 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.5 OUTLIER -84.45 -43.26 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -33.74 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -64.03 -34.33 77.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.73 -7.63 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.631 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -149.83 63.64 6.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.04 0.4 8.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.11 -11.18 39.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 51' ' ' VAL . 20.2 pt -115.88 -173.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -150.44 -178.74 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.02 -27.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.35 -40.48 10.9 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.381 1.051 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.3 5.51 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.479 HG23 HD12 ' A' ' 46' ' ' ILE . 2.6 t -96.5 -38.16 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.32 76.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 10.95 40.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 5.0 mmtt -112.31 -26.07 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 35' ' ' ASN . 15.7 mt -72.4 -24.82 61.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.65 95.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.2 mttm -84.08 -34.97 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.531 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 49.6 t-105 -61.44 -52.17 65.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -26.89 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -93.87 10.27 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.656 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -87.59 16.39 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.968 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.06 159.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.88 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.968 ' H ' HG23 ' A' ' 63' ' ' THR . 4.0 mt-10 -84.47 -20.54 31.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.2 mm-40 -116.53 -13.59 10.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.53 -26.26 18.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.796 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 7.1 pt20 -75.15 -31.9 1.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.09 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -41.46 93.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 111.054 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -68.8 -33.0 73.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.69 -37.14 80.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -76.16 -39.37 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -12.95 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -22.58 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.18 -33.93 24.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -21.06 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -71.64 -26.28 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -87.54 -41.64 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -47.57 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.702 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 91.8 t80 -56.4 -18.21 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.83 -19.7 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -46.29 17.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -71.44 -30.74 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.77 -35.34 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 3.0 tt0 -60.37 -24.94 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -88.3 -45.45 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.923 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 3.1 t80 -58.1 -43.39 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -69.58 -30.42 68.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -60.36 -22.16 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.549 ' HB ' HD13 ' A' ' 92' ' ' LEU . 83.5 m -66.36 -34.01 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.722 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.05 44.04 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.943 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.503 0.192 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.93 138.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 3' ' ' THR . 11.8 t -172.73 86.4 0.41 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.43 27.06 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -177.08 125.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -171.75 114.02 0.41 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 177.63 8.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -173.93 140.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 123.52 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 179.79 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -111.67 44.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.3 m -60.93 114.37 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 90.24 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 137.64 43.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.28 69.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 93.13 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.16 147.71 50.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -159.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -67.26 77.41 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.98 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -134.86 151.08 74.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.91 13.66 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -51.18 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 3.7 mtp180 161.68 96.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.52 112.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.9 mp -60.21 166.13 3.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -94.34 152.16 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.934 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -41.42 -29.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 8.5 t80 -66.55 -47.27 73.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.7 mpp? -65.11 -30.05 70.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 19.7 m-85 -61.39 -49.14 78.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.5 -26.69 45.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -76.49 -50.4 14.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 1.1 m-80 -40.98 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.3 mt-10 -100.39 -31.5 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.622 ' O ' HD11 ' A' ' 55' ' ' LEU . 3.0 m120 -95.13 29.08 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 4.2 ttp180 -103.66 8.41 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -114.28 -30.34 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.51 -36.08 76.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.18 -47.32 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 1.1 ptm180 -57.61 -32.96 67.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -33.42 75.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' C ' ' ND2' ' A' ' 43' ' ' ASN . 2.7 mt-10 -93.3 -7.15 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.589 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -147.56 61.75 6.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.94 -5.84 17.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.38 -13.77 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.773 HD13 ' HG2' ' A' ' 50' ' ' GLN . 2.2 pp -121.89 171.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLY . 69.4 p -131.46 -171.09 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 10.3 t80 -37.46 -31.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.78 -43.92 1.77 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.773 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -121.75 -4.11 9.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.754 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -90.72 -46.9 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.556 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -72.32 -8.6 70.96 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -107.65 8.25 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -122.85 -42.81 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 35' ' ' ASN . 6.9 mt -52.14 -41.16 62.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -47.7 -34.47 10.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.06 -33.33 75.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttt -76.47 -32.85 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.505 ' CH2' ' HB1' ' A' ' 27' ' ' ALA . 70.3 t-105 -60.61 -49.01 79.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 107.964 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -65.8 -28.53 69.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.43 6.56 48.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 31' ' ' PHE . 3.7 tp -78.29 -2.32 37.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.91 167.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.666 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -22.79 14.37 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 3.6 mm-40 -63.49 -34.47 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.67 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.3 mm-40 -96.02 -25.78 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -82.02 -28.59 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.3 mt-30 -46.49 -55.92 12.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.486 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.0 -47.04 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -55.33 -72.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 tt0 -46.35 -42.28 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 75' ' ' GLN . . . -63.97 -47.5 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.08 -24.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 71' ' ' GLU . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.592 ' CD ' ' O ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -70.68 -6.17 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -102.98 -54.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.94 -24.48 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.87 -28.83 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 -36.22 28.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -64.11 -44.37 92.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.01 -19.67 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.46 -20.38 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -47.14 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -20.7 52.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.74 -30.64 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 3.9 tt0 -60.2 -50.79 72.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.98 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.5 t80 -56.99 -49.31 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -71.54 -23.93 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -79.3 -13.98 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 -23.18 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 pp -106.45 -38.73 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.508 0.194 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.52 146.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 4.5 t -104.29 146.09 31.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.5 Cg_endo -74.9 -164.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 179.57 171.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.68 120.85 0.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.64 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -135.76 154.04 51.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.78 128.34 16.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.36 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -156.27 151.6 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 t -132.01 -179.91 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 179.91 157.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -174.16 138.72 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -105.4 -171.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -162.96 151.6 14.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.44 111.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -159.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.448 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.9 p-10 -69.84 78.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.738 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -134.23 142.94 44.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.05 131.72 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.16 50.88 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.513 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 6.3 mtt180 58.61 114.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.43 104.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.211 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.683 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.1 mp -42.29 159.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -90.52 155.09 19.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.38 -29.91 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.88 -30.51 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 mmt -74.0 -40.12 63.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -59.1 -44.14 91.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CE2' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -78.65 -33.78 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' GLU . . . -71.83 -49.22 40.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -47.27 -23.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 32' ' ' ALA . 3.6 mt-10 -107.28 -29.08 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.918 ' HA ' HD12 ' A' ' 38' ' ' ILE . 3.0 m120 -96.36 31.14 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -99.6 -5.83 28.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.5 t0 -114.22 -32.7 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 35' ' ' ASN . 13.0 mt -57.28 -32.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.698 HG12 ' OD1' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.62 -43.96 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -57.82 -37.48 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -64.02 -40.85 97.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.538 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 9.1 mm-40 -86.54 -5.78 59.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.698 ' OD1' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.56 63.41 6.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.99 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.36 -16.1 29.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 37.2 pt -109.61 -177.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -145.85 179.96 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -45.24 -24.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.55 -49.69 7.05 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -118.62 -15.75 9.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.5 t -65.76 -42.67 92.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.78 14.77 27.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -119.37 -39.65 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.3 mt -49.05 -31.51 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.58 -27.55 48.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.72 -32.09 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.312 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 mttm -78.33 -36.63 46.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.46 -52.72 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.053 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.92 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.211 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -91.38 4.64 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 3.6 tp -80.08 1.87 26.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 51.15 170.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.03 -27.02 10.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.922 ' H ' HG23 ' A' ' 63' ' ' THR . 4.7 mt-10 -61.59 -25.04 67.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.797 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 1.6 mm-40 -116.12 -14.03 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.06 -25.18 19.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.789 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 3.9 pt20 -75.43 -33.2 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.09 -53.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.34 -48.3 80.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 24.4 tt0 -61.71 -36.17 80.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.55 -33.6 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -74.37 -33.59 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -19.66 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 -47.08 12.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.27 -18.27 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -58.85 -29.4 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -89.34 -32.97 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.23 -41.81 98.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.665 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 73.5 t80 -59.51 -14.09 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.92 -19.47 27.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -77.35 -61.44 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 109.899 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.14 -40.94 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.243 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -60.43 -35.9 76.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 6.4 tt0 -55.88 -43.96 77.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.81 -45.42 71.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.738 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 7.1 t80 -59.05 -54.29 48.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -58.47 -28.42 65.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.914 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.21 -12.72 61.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -92.52 -31.87 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 89' ' ' ASN . 2.1 pp -92.86 -37.66 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -90.75 153.38 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.72 -29.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 41.9 t80 -66.85 -48.69 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -55.1 -37.06 66.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.29 -51.74 66.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.08 -31.52 69.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.56 -53.63 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' NH2' ' A' ' 36' ' ' ARG . 1.9 m-80 -40.98 -29.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.8 mm-40 -99.11 -35.71 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.752 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -93.69 29.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -97.11 -9.32 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -111.63 -29.87 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mp -56.04 -40.63 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.822 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.38 -43.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HD2' HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.64 -28.13 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -73.87 -22.72 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.69 -8.27 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.822 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -148.31 61.68 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.08 -17.93 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.652 HD12 ' HG2' ' A' ' 50' ' ' GLN . 31.1 pt -106.41 -178.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.4 p -129.82 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 9.1 t80 -57.1 -27.5 61.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.33 -36.39 7.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.652 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -115.65 -23.01 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.405 HG11 ' HD2' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -74.0 -50.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.86 -15.05 73.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.55 13.01 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -41.66 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.1 mt -51.16 -34.01 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.28 -26.3 28.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.17 -29.66 38.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.47 -38.4 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 41.5 t-105 -58.5 -52.31 66.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.35 -27.76 68.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -87.79 -1.44 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.5 tp -78.58 0.82 24.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.651 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 56.64 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.99 -7.1 18.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.59 -40.74 48.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 4.9 mm-40 -87.25 -29.41 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -13.97 54.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -61.61 -56.99 27.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.01 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -54.59 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -57.88 -25.13 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -78.94 -40.85 30.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.65 -13.19 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -14.98 59.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -36.14 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.08 -17.63 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -55.0 -24.67 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 -41.07 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.35 67.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD23 ' SD ' ' A' ' 29' ' ' MET . 3.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -104.82 152.12 22.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.08 -29.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -66.76 -48.9 67.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -62.0 -51.55 67.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -33.39 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -74.15 -55.3 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -40.24 -29.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -95.7 -37.1 10.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.828 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -93.23 29.01 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -101.68 1.75 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.76 -36.76 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -55.23 -38.3 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.756 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.67 -42.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -55.93 -33.69 64.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -59.15 -42.31 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.4 -6.66 58.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.756 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -147.66 62.73 7.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 0.73 8.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.2 -11.88 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.81 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.5 pp -121.37 167.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLY . 44.3 p -132.02 -173.63 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 6.2 t80 -37.68 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.184 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -36.82 -47.93 1.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -10.76 9.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.81 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.3 t -79.16 -45.68 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -77.24 -3.89 82.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -101.51 -7.3 22.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -116.41 -28.44 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.7 mt -62.99 -27.81 69.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.72 -34.21 87.82 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.582 1.177 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.53 -30.82 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.0 mmtt -78.22 -35.33 48.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -58.38 -49.82 75.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -66.02 -29.94 70.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.99 57.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tp -76.62 -1.85 29.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.852 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 55.78 168.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.96 -9.04 20.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.0 -45.13 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 35.0 mm-40 -85.52 -29.1 24.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -11.82 57.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.512 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.1 mt-30 -63.07 -57.48 20.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -60.07 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.43 -38.27 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -30.91 61.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -75.99 -37.92 57.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.85 63.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -19.65 60.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.64 -50.56 9.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -56.66 -19.0 14.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.3 -30.36 70.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.35 -42.5 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -59.78 -39.46 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.1 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 154.29 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.5 -30.19 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -30.82 71.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.2 -38.83 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 65.0 m-85 -60.79 -48.0 83.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.55 -29.94 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -75.54 -54.27 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -28.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -99.1 -32.19 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.737 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.3 m-80 -97.71 31.43 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -103.96 10.79 36.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.19 -39.83 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -55.8 -39.02 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.859 HG12 HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -82.38 -42.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -30.64 66.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -90.97 -6.44 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.859 HD21 HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -148.42 63.27 7.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 0.45 8.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -14.52 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -103.05 -172.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 46' ' ' ILE . 8.2 p -128.43 -168.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 9.8 t80 -67.33 -32.32 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.59 -8.53 67.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.03 -7.9 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 55' ' ' LEU . 2.1 t -95.22 -40.12 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' HA3' HH21 ' A' ' 36' ' ' ARG . . . -67.27 -21.62 72.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -9.49 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.6 0.823 . . . . 0.0 109.296 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 16.2 mmtt -111.31 -27.07 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.1 mt -76.29 -25.5 54.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.62 98.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 1.4 pt-20 -69.21 -26.04 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 4.6 mttp -80.99 -37.75 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 41.3 t-105 -58.82 -52.05 67.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.77 -29.28 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.54 1.35 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 2.1 tp -80.46 2.49 25.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.74 169.99 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.03 -9.67 20.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.9 -43.7 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 32.9 mm-40 -85.7 -27.42 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -12.76 56.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -62.75 -57.07 23.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -52.2 -59.79 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 4.8 tt0 -60.2 -34.59 73.84 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -77.79 -36.3 50.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.22 -15.24 61.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -21.83 56.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.46 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -60.68 -22.73 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -70.6 -24.81 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -42.67 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -37.13 69.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.926 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.6 154.56 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.43 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 2.6 t80 -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.404 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 11.8 mmt -72.88 -42.41 63.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -54.96 -44.17 74.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -78.49 -21.59 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.14 -47.8 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 29' ' ' MET . 30.2 m120 -48.74 -23.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -39.35 8.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.783 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -93.85 28.17 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.42 -11.59 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -110.66 -27.26 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 mt -55.7 -43.25 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.819 HG12 HD21 ' A' ' 43' ' ' ASN . 0.7 OUTLIER -82.14 -42.75 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.93 -33.35 70.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ASP . 31.0 t -61.06 -35.88 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.75 -8.93 39.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.819 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -146.75 61.81 7.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.91 -17.95 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.498 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 45.9 pt -109.24 -167.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.8 p -148.07 -174.41 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.4 -33.42 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.24 -38.14 3.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.51 -14.95 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.22 -37.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -67.07 -31.99 79.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 0.46 27.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -29.71 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 35' ' ' ASN . 18.1 mt -76.29 -34.62 59.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.423 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -57.98 -46.12 92.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -63.71 -25.36 68.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.1 mmtt -80.12 -35.89 36.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.2 t-105 -60.79 -54.17 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.047 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -27.8 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.57 4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' LYS . 3.1 tp -82.54 5.83 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 54.52 166.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.98 -1.88 11.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.02 -39.15 21.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 10.8 mm-40 -85.3 -29.74 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -81.81 -24.56 35.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -49.62 -57.32 12.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -75.01 -49.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -52.57 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 111.081 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.75 -37.92 69.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.64 -28.51 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -77.85 -38.79 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -15.4 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -20.0 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.84 -50.62 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.17 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -26.95 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -84.35 -48.32 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.5 -37.84 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 29' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -97.56 153.16 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -29.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.98 -43.74 91.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 mtm -65.92 -34.12 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -59.6 -46.94 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -17.04 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -85.64 -48.38 8.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -40.89 -29.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -99.79 -33.83 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.245 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.755 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.9 m-80 -96.47 31.92 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 18.2 tpp180 -98.75 -6.51 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 57.9 m-20 -110.85 -25.15 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.6 mp -64.05 -38.32 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.02 -46.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -54.97 -33.03 62.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.9 t -67.0 -31.49 72.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.71 -6.55 45.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.8 HD21 HG12 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -148.19 61.96 6.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -18.93 29.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.3 pt -102.81 -168.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.2 p -129.8 -168.82 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 15.6 t80 -68.57 -38.4 80.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.69 -8.69 48.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.578 1.173 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.89 -10.97 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.98 -42.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.37 -14.83 67.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -4.01 55.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 -43.37 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.0 mt -48.2 -39.02 19.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.81 -30.08 8.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.0 -28.47 60.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.722 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LEU . 5.6 mptt -78.87 -37.15 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.42 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 47.8 t-105 -59.14 -54.36 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.28 -26.72 68.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 -6.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.7 tp -75.57 -4.68 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.857 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 57.83 168.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.857 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -5.18 16.45 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.76 -43.05 23.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.9 mm-40 -87.38 -27.03 23.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -82.81 -20.23 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.3 mt-30 -54.81 -56.87 22.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.97 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.15 -56.53 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.12 -36.13 78.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.4 -26.34 65.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -78.73 -40.39 33.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -20.08 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -16.21 60.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.08 14.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.61 -17.7 24.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -33.79 70.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -40.27 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -42.26 98.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.225 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' SD ' ' A' ' 29' ' ' MET . 6.0 mp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.62 149.91 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.75 -30.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' SER . 25.4 t80 -62.96 -47.95 80.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 mtm -62.16 -37.91 87.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -56.38 -43.74 79.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.43 -24.05 37.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -78.37 -46.91 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -41.62 -27.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 32' ' ' ALA . 36.4 mt-10 -106.37 -26.28 11.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.7 m-80 -102.0 36.09 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -108.49 3.26 22.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 15.3 t0 -119.1 -40.71 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.8 mp -53.99 -33.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.845 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -80.22 -41.61 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.466 HH21 ' HB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -57.94 -36.89 73.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -60.17 -45.66 92.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.01 -7.62 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.845 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.49 63.17 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.386 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.488 1.783 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -12.91 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.801 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.4 pp -126.21 162.8 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 ' HB ' HH21 ' A' ' 40' ' ' ARG . 41.4 p -128.18 -170.99 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.422 ' H ' ' NH2' ' A' ' 40' ' ' ARG . 6.5 t80 -37.38 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -37.81 -51.71 2.0 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.733 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -116.88 -16.49 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.9 -46.97 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.56 -8.96 73.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -97.44 3.31 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -121.13 -42.91 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.818 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.9 mt -46.54 -37.18 7.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.94 -32.52 62.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.52 -29.96 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 45.3 mttp -79.86 -33.96 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -60.86 -53.6 55.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 107.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -66.11 -26.83 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.23 0.18 57.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -80.54 2.18 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.744 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.49 170.94 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.443 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.6 Cg_endo -74.94 -8.25 19.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.14 -40.23 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 mm-40 -87.89 -29.04 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -11.97 56.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -64.17 -56.61 22.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.357 1.036 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -54.96 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.66 -38.33 69.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.83 -27.85 60.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -76.9 -40.01 48.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.66 63.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -7.91 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -39.55 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 1.5 p30 -55.97 -19.14 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -48.88 -33.97 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -38.24 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -66.92 -33.3 75.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 3.7 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -99.44 153.45 18.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.34 -26.47 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -67.66 -49.17 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -31.67 66.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.4 m-85 -65.57 -53.97 34.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.575 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.5 -11.26 59.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -89.54 -46.68 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 1.3 m-80 -45.59 -26.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -33.07 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.759 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.3 m-80 -95.69 28.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.34 -12.39 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.24 -26.42 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.2 mp -58.03 -42.63 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.794 HG12 HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -79.83 -44.35 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.733 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -55.53 -34.57 64.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.82 -6.71 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.794 HD21 HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -146.25 63.24 8.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -75.04 -5.97 17.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -14.6 49.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 ' CG ' ' A' ' 50' ' ' GLN . 32.5 pt -111.37 -166.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.3 p -156.82 -179.43 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -40.97 -27.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.399 1.062 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -39.97 -47.44 3.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.06 -21.31 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.221 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.733 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.5 t -60.19 -46.04 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.04 -13.26 83.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 13.9 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 9.3 mtmt -123.66 -42.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 35' ' ' ASN . 3.9 mt -41.23 -35.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.4 -27.78 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -76.34 -34.3 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.3 mttm -75.54 -32.68 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.82 ' CE3' HD22 ' A' ' 62' ' ' LEU . 64.1 t-105 -64.3 -60.31 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -23.02 32.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.91 -18.81 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -68.21 -9.66 48.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 51.58 173.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.06 -37.13 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 26.3 mm-40 -96.56 -23.58 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -81.14 -31.75 34.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.646 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.2 mt-30 -42.75 -56.81 5.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.08 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.11 -63.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.44 ' CB ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tt0 -56.91 -37.72 71.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -53.98 -31.26 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -77.69 -36.93 50.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -73.18 -16.15 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.86 -50.56 9.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -19.2 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.91 -27.14 68.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -47.62 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -41.83 65.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.0 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.29 155.93 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.153 . . . . 0.0 110.067 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.26 -26.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' SER . 20.2 t80 -70.2 -49.1 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.1 mpp? -62.29 -22.77 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.0 m-85 -71.99 -52.97 14.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.43 -14.28 59.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -86.28 -50.68 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -45.15 -26.51 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 mm-40 -99.17 -31.81 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.5 m-80 -96.32 25.34 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.719 ' CD ' HG11 ' A' ' 51' ' ' VAL . 1.2 tmm_? -96.61 4.23 52.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.9 m-20 -112.48 -19.49 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.4 mp -75.34 -37.07 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.713 HG12 HD21 ' A' ' 43' ' ' ASN . 1.3 t -82.7 -44.08 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.01 -8.65 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.713 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -144.98 63.0 9.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 -1.07 10.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.82 -12.76 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.871 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.2 pp -123.33 165.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLY . 28.0 p -130.89 -170.3 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.42 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 2.4 t80 -37.89 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.19 -48.27 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.603 1.189 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -118.25 -22.09 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.871 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.4 t -60.39 -44.12 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.78 -11.64 73.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.578 1.174 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 0.88 48.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -118.81 -47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 32' ' ' ALA . 4.9 mt -40.74 -37.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.72 -32.28 5.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.64 -32.62 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 62' ' ' LEU . 28.6 mttt -76.46 -35.93 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.844 ' CE3' HD22 ' A' ' 62' ' ' LEU . 65.2 t-105 -60.52 -63.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 107.991 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -52.51 -27.05 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.99 -24.63 30.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.844 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -64.81 -12.08 44.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.21 176.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.0 -10.58 21.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -36.15 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.8 mm-40 -100.19 -24.19 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.548 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -82.8 -17.99 42.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 mt-30 -55.4 -57.27 21.43 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.14 -43.29 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -56.34 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.96 -38.8 73.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.42 -32.79 58.1 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -74.13 -36.64 64.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.53 -12.36 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -21.12 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -85.39 -41.26 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.28 -13.89 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -73.84 -20.4 60.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -98.31 -19.39 17.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -34.27 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.3 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 29' ' ' MET . 97.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -99.03 153.44 18.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.86 -29.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' SER . 9.8 t80 -67.18 -45.89 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.51 ' HG2' HD22 ' A' ' 25' ' ' LEU . 1.5 mpp? -68.19 -26.04 65.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.0 m-85 -66.98 -45.11 78.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.31 -27.66 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.82 -46.26 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.3 -28.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -104.59 -31.82 9.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.694 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.4 m-80 -93.47 28.07 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -98.78 -3.46 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.12 -32.34 6.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.7 mp -56.56 -41.38 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.83 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -80.66 -42.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -29.39 26.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -77.61 -17.94 57.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -102.38 -15.22 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.83 ' ND2' HG12 ' A' ' 39' ' ' VAL . 13.9 p30 -138.53 60.47 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.499 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -15.58 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -99.77 -176.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 46' ' ' ILE . 11.8 p -122.5 -167.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.13 -24.18 62.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.48 -9.55 85.98 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.1 mt-30 -117.48 -12.18 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.402 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -87.15 -47.16 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -6.52 76.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.05 4.35 42.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -121.07 -43.47 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.694 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.6 mt -46.9 -39.17 11.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.07 -31.27 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.28 -31.04 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.57 ' O ' HD13 ' A' ' 62' ' ' LEU . 6.6 mmtt -78.64 -31.01 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.461 ' HE3' HD22 ' A' ' 62' ' ' LEU . 54.7 t-105 -63.85 -51.29 65.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -26.59 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.87 3.66 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -80.71 2.75 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.963 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.92 158.6 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.696 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.9 -0.14 9.56 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.963 ' H ' HG23 ' A' ' 63' ' ' THR . 3.4 mm-40 -87.26 -25.2 24.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 8.0 mm-40 -101.74 -28.55 12.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -28.94 32.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -45.61 -56.92 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.28 -57.72 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.67 -32.7 72.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -62.77 -26.11 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -79.37 -39.45 32.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.41 -15.49 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -22.83 56.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -45.74 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -64.74 -12.96 52.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.48 -28.35 69.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -98.89 -36.84 9.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -22.66 40.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 72.2 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.71 157.77 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.9 -28.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 4.5 t80 -65.7 -47.49 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' CD2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -65.38 -30.36 71.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -63.29 -44.06 96.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -26.42 31.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -76.81 -46.4 25.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -50.02 -24.15 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -101.71 -37.22 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.721 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.6 m-80 -94.19 29.1 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -91.72 -9.56 43.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.61 -24.4 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.3 mp -60.41 -40.57 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -79.23 -44.91 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 47' ' ' THR . 66.8 mtp85 -55.15 -36.67 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -39.12 83.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.66 -6.31 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.802 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -149.83 62.98 6.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.99 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -13.61 34.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.5 pt -113.39 -170.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.467 HG23 ' C ' ' A' ' 46' ' ' ILE . 20.6 p -155.52 -179.61 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -37.41 -31.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -40.79 -45.72 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.27 2.5 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 HD12 ' A' ' 46' ' ' ILE . 2.2 t -89.31 -41.76 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.187 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 -9.62 84.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -104.9 8.12 34.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.63 -40.67 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -50.42 -34.78 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.86 -30.88 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 86.2 mttt -78.18 -34.8 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -60.18 -52.57 64.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.13 -28.45 69.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.1 9.23 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' THR . 4.1 tp -82.2 4.27 24.06 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.72 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.716 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.07 -1.58 11.43 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 0.5 OUTLIER -86.82 -23.85 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 63' ' ' THR . 19.6 mm-40 -104.06 -28.23 11.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.04 -27.75 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.7 mt-30 -47.22 -56.66 11.57 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -49.57 -59.66 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -60.49 -35.92 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.15 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -76.93 -41.03 45.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -66.16 -18.41 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -16.43 59.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.64 -47.56 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -19.02 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.16 -28.05 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.97 -46.37 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -43.24 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD23 ' SD ' ' A' ' 29' ' ' MET . 4.5 mp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -93.35 151.87 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 109.95 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.5 -28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' SER . 16.3 t80 -65.87 -45.21 82.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.65 -32.58 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 43.7 m-85 -64.06 -45.01 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -83.53 -16.26 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -88.32 -45.67 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.4 m-80 -46.87 -25.67 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.9 mm-40 -102.1 -34.22 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.767 ' HA ' HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -93.64 26.85 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.13 -16.04 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.49 -14.43 12.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 35' ' ' ASN . 94.3 mt -66.4 -36.09 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -85.41 -43.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -28.63 64.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.56 -5.92 24.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.805 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -153.18 62.9 4.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.05 -0.84 10.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.88 -12.73 38.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 28.2 pt -112.3 -169.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.6 p -146.3 -175.48 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 7.0 t80 -50.34 -36.69 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.99 -38.54 1.24 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -118.48 -19.53 8.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -78.32 -48.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.21 -17.02 73.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -105.38 14.95 28.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 0.715 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -120.5 -40.54 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.1 mt -50.33 -37.56 37.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.49 -34.05 48.52 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.577 1.173 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.15 -29.74 66.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 0.712 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 34.0 mttt -79.5 -32.48 42.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.25 -50.22 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -26.75 65.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.46 -0.14 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -78.93 2.0 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.986 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.12 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.04 -0.65 10.24 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.986 ' H ' HG23 ' A' ' 63' ' ' THR . 2.0 mm-40 -87.0 -24.77 24.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.1 mm-40 -101.98 -28.61 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -82.13 -28.28 32.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -46.71 -56.36 11.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.04 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.56 -59.74 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.4 tt0 -57.6 -37.43 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.38 -27.44 65.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -35.94 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . . . -75.33 -18.1 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -74.29 -23.4 59.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -44.21 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -13.4 62.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.78 -29.54 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -41.81 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -30.36 69.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.3 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -88.87 152.86 21.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.45 -29.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.55 -41.5 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.56 -32.5 74.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -63.89 -51.09 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.28 -22.27 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.09 -51.28 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.47 -28.18 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 32' ' ' ALA . 40.2 tt0 -98.67 -36.35 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.86 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.1 m-80 -92.8 28.43 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.601 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.69 -12.1 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.9 -11.4 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 35' ' ' ASN . 71.6 mt -72.38 -35.03 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.68 -45.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.518 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -58.57 -32.35 68.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 t -65.52 -38.02 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.59 -9.61 51.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.818 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.09 62.93 9.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.08 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -13.32 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' THR . 22.1 pt -114.04 -167.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.8 p -156.69 -179.09 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 1.7 t80 -40.78 -27.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -43.1 -45.35 6.17 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.417 1.073 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.82 -0.51 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -87.78 -49.24 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -73.37 -12.38 79.98 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 13.06 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.716 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -43.51 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.5 mt -46.51 -40.83 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.61 -33.42 26.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.76 -26.41 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttm -79.87 -36.48 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -60.41 -52.79 63.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 107.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -66.08 -27.86 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.36 7.28 45.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -85.56 8.19 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.965 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.63 158.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.704 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.965 ' H ' HG23 ' A' ' 63' ' ' THR . 1.6 mm-40 -88.36 -23.64 23.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.0 mm-40 -100.64 -29.03 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -31.57 31.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.8 mt-30 -43.69 -56.49 7.13 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.96 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -48.3 -55.15 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.064 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.48 -36.58 78.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -57.63 -29.49 64.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -77.62 -36.78 51.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.44 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -20.72 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.86 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.75 -22.7 64.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.5 -24.32 65.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -46.55 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -37.14 61.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.96 148.6 25.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.61 -28.86 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.57 -45.3 83.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.6 tpp -64.37 -32.99 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -61.16 -46.29 91.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.67 -23.09 34.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.94 -41.06 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.3 m-80 -50.57 -23.07 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.91 -34.92 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.953 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.3 m-80 -93.79 27.48 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.38 -13.66 32.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.234 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -113.93 -14.97 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 35' ' ' ASN . 48.1 mt -67.73 -36.59 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.81 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.44 -46.43 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 3.9 ptm180 -56.88 -33.11 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -63.69 -39.02 93.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.34 -6.46 56.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.81 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.06 62.52 6.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.01 -0.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -12.56 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 15.5 pt -113.53 -175.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.7 p -148.91 -179.14 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.8 t80 -38.58 -33.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' PHE . . . -37.15 -49.04 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.98 -4.47 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.65 -47.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.47 -10.2 85.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -106.99 12.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.28 -42.73 2.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.727 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.1 mt -47.53 -40.23 18.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.94 -30.61 37.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.7 -33.82 75.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 11.3 mttp -77.34 -32.4 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 75.4 t-105 -60.4 -49.71 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.2 67.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 2.66 56.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -78.58 1.21 23.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.988 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.28 158.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -75.06 1.3 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.988 ' H ' HG23 ' A' ' 63' ' ' THR . 0.6 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 2.9 mm-40 -103.98 -25.81 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -83.3 -37.86 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -40.05 -54.71 4.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.422 1.748 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.6 -60.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.74 -36.81 72.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.59 -32.03 62.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -75.46 -37.8 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.82 -17.9 63.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -15.0 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.38 -45.77 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -18.96 9.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -48.73 -32.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -77.52 -52.66 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.411 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -33.92 60.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.5 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -120.79 148.58 43.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -39.49 -31.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.5 t80 -63.39 -50.6 69.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.0 mpp? -62.34 -36.33 81.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 111.066 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.68 -37.99 22.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 29' ' ' MET . 2.9 m-80 -69.72 -7.86 42.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.73 -33.58 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -106.52 13.91 27.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -75.6 -7.53 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.536 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -115.47 -10.77 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 35' ' ' ASN . 90.4 mt -76.73 -34.69 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -86.9 -43.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.1 ptm180 -60.48 -28.74 68.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.13 80.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.25 -14.57 25.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.802 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -140.52 61.22 15.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.9 0.21 9.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -11.94 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.539 HD12 HG23 ' A' ' 51' ' ' VAL . 19.6 pt -115.43 -171.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.5 p -149.8 -176.45 5.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -42.46 -26.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.54 -41.53 4.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 5.68 4.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 46' ' ' ILE . 3.0 t -101.39 -37.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -84.14 -2.55 89.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 2.72 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.98 -35.66 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -56.27 -31.57 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.8 -36.19 91.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.91 -30.32 71.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.1 mttt -79.23 -31.93 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -62.41 -48.87 77.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.3 ptpt -67.49 -28.55 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.84 8.45 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.707 ' O ' HG22 ' A' ' 63' ' ' THR . 1.5 tp -81.81 4.48 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 1.003 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 53.75 159.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.05 -1.42 11.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 1.003 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.84 -24.22 25.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.735 ' HG2' HG22 ' A' ' 63' ' ' THR . 15.4 mm-40 -102.05 -29.81 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -83.29 -23.85 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.476 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.3 mt-30 -51.7 -56.02 24.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -61.11 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -55.83 -37.28 68.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.06 -32.28 46.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -76.7 -37.93 55.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -19.41 60.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -17.07 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.47 18.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -16.01 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -29.82 68.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -80.15 -34.46 37.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -70.24 -38.85 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.4 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.85 153.67 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -43.0 -28.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' SER . 5.1 t80 -66.9 -49.7 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -59.36 -29.97 68.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.7 m-85 -66.92 -44.1 81.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -19.31 46.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.77 -46.19 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.429 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -45.86 -26.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 tt0 -99.22 -35.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.716 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -93.34 26.13 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -88.72 -12.05 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.59 -12.66 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 35' ' ' ASN . 72.6 mt -70.68 -34.78 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.798 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -84.54 -48.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -57.64 -32.8 67.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.417 1.073 . . . . 0.0 110.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 -28.64 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.68 -10.43 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.798 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.6 61.24 7.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.07 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -12.59 34.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.615 ' CD1' HG23 ' A' ' 51' ' ' VAL . 33.4 pt -112.37 -169.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -140.19 -176.86 4.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 110.422 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CE1' ' NE ' ' A' ' 36' ' ' ARG . 2.3 t80 -56.47 -27.0 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.25 -29.45 22.28 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.42 2.3 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.615 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.1 t -107.14 -40.16 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.575 ' CA ' ' CE1' ' A' ' 48' ' ' PHE . . . -70.94 -26.31 74.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -97.08 11.9 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -113.76 -21.88 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.716 HD11 ' O ' ' A' ' 35' ' ' ASN . 17.4 mt -77.2 -19.96 56.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.07 -40.22 62.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -65.57 -28.12 68.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.2 mtpp -79.12 -32.9 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 63.1 t-105 -62.24 -52.05 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.58 3.76 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 63' ' ' THR . 1.3 tp -81.79 5.19 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.43 159.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.723 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 5.0 mm-40 -85.85 -25.46 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 24.5 mm-40 -97.61 -29.38 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.04 -27.98 32.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.0 mt-30 -46.97 -56.48 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.26 -58.83 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 7.3 tt0 -59.0 -36.23 74.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.56 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.0 -40.97 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -64.32 -16.37 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -11.93 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.94 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.5 t0 -53.8 -20.08 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -44.8 -31.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -39.75 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 4.8 mmm-85 -63.07 -33.31 75.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 6.7 t80 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 1.5 mp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 154.83 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.68 -28.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.61 -45.51 71.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.54 -27.86 69.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.79 -50.65 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -75.54 -26.98 58.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -75.17 -53.91 8.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.8 m-80 -46.01 -26.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 tp10 -99.46 -32.95 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.707 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.2 m-80 -94.96 24.82 4.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.4 tpp85 -92.23 -8.39 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.509 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 13.3 m-20 -111.63 -17.55 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -69.88 -37.81 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.838 HG11 ' HD3' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -83.27 -45.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 2.1 ptm180 -55.79 -31.65 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.1 t -68.83 -26.38 65.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.8 -12.77 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.813 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -144.81 62.98 9.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 -8.75 20.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -11.59 58.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 31.9 pt -115.92 -175.07 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 49' ' ' GLY . 30.8 p -147.32 -176.78 5.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.401 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -42.04 -26.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -51.2 -27.15 14.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -146.53 18.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.8 -42.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.39 2.32 84.88 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 3.95 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.838 ' HD3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.68 -33.75 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 39' ' ' VAL . 12.0 mt -51.56 -27.21 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.17 -30.3 77.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.82 -32.06 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -77.54 -34.45 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 31' ' ' PHE . 73.6 t-105 -60.62 -46.74 89.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -67.41 -29.27 68.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 0.22 56.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.5 tp -75.62 -4.87 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.883 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 53.09 171.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 -29.16 8.52 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.883 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mt-10 -57.04 -38.72 73.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 63' ' ' THR . 1.9 mm-40 -94.69 -26.95 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -83.43 -5.06 59.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.625 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -71.88 -57.13 4.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.7 Cg_endo -74.91 -39.15 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -58.28 -68.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.62 -33.92 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.18 -35.75 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.29 -35.19 63.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.28 -15.86 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -19.27 58.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.55 -43.68 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.15 -13.42 36.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -64.59 -11.89 39.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' TYR . 1.6 ttpt -117.22 -56.56 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -43.14 -26.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 1.2 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -77.3 145.53 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.928 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . . . -42.52 -33.57 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -68.6 -44.67 73.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -58.52 -30.81 67.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.5 m-85 -67.79 -53.41 27.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -20.22 57.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -81.63 -51.05 8.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.1 -27.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 7.0 mm-40 -98.33 -33.38 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.837 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -92.38 23.12 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -106.86 14.68 26.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 41' ' ' SER . 27.0 m-20 -120.31 -36.56 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 1.192 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.13 -43.67 89.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.839 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -87.41 -42.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 61.4 ttt85 -62.41 -25.37 67.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.078 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 28.5 t -76.54 -32.43 58.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -90.98 -6.62 53.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.839 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -146.81 62.08 7.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.02 -4.55 15.56 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.427 1.751 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -13.98 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.508 HD12 ' CG ' ' A' ' 50' ' ' GLN . 31.8 pt -110.6 -168.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 46' ' ' ILE . 22.4 p -156.34 -176.56 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -38.92 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -45.46 -44.32 11.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.81 0.5 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.65 -42.85 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.19 -17.75 68.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -0.76 57.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -111.26 -35.33 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.837 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.7 mt -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.21 -30.33 54.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.11 -26.6 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' HD13 ' A' ' 62' ' ' LEU . 12.7 mttm -81.37 -34.85 31.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.47 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 59.8 t-105 -61.49 -51.84 66.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -66.6 -28.45 68.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.34 -0.95 57.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -82.25 4.6 22.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 1.019 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 54.1 159.15 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 0.36 9.0 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 1.019 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.86 -27.37 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.49 -30.69 13.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.02 -26.72 33.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.49 -56.81 11.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.41 1.742 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.68 -56.17 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 27' ' ' ALA . 46.3 tt0 -63.27 -34.62 78.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.3 67.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -77.81 -37.47 48.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.37 -15.31 62.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -16.41 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.69 -46.99 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -22.52 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -71.26 -6.53 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -109.21 -39.77 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -13.86 61.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -82.93 149.93 26.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -42.65 -30.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 26' ' ' SER . 14.2 t80 -67.82 -46.12 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.1 mpp? -57.0 -33.51 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -65.24 -57.79 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CE1' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.83 -24.21 66.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.56 -51.14 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.49 -28.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.3 mm-40 -98.87 -36.18 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.917 ' O ' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -92.64 28.3 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.218 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.86 -13.28 24.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.519 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.2 m-20 -116.0 -10.48 11.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 35' ' ' ASN . 72.0 mt -74.54 -34.27 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -85.52 -43.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -58.18 -31.96 67.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -64.24 -38.78 92.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.62 -9.03 53.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.818 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.62 62.72 8.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.98 -0.76 10.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -12.16 40.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 51' ' ' VAL . 13.9 pt -114.73 -174.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 49' ' ' GLY . 22.6 p -148.49 -177.15 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -42.42 -27.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -47.14 -40.28 13.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.88 3.71 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 110.378 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 46' ' ' ILE . 2.3 t -95.05 -46.51 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.07 80.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -103.96 14.06 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -41.21 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.917 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.4 mt -50.68 -37.99 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.73 -29.29 12.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.41 -30.53 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' LEU . 22.9 mttt -78.9 -35.87 42.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -59.23 -52.36 66.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -29.03 69.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.68 -7.24 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' LEU . 2.9 tp -73.78 -4.54 35.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.35 171.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.94 -29.0 8.79 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.919 ' H ' HG23 ' A' ' 63' ' ' THR . 1.7 mt-10 -57.92 -36.94 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 63' ' ' THR . 10.0 mm-40 -96.4 -27.78 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -4.35 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -71.95 -57.32 4.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.04 -39.37 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -57.32 -66.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.36 -38.44 66.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.73 -31.95 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -76.66 -35.7 57.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -73.95 -17.13 61.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -21.28 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.72 -45.63 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -20.93 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -23.56 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -38.94 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -45.83 79.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.564 HD23 ' SD ' ' A' ' 29' ' ' MET . 30.6 mt . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -135.12 149.53 50.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -46.93 -30.15 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.51 -37.23 79.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.564 ' SD ' HD23 ' A' ' 25' ' ' LEU . 3.2 ttm -77.33 -19.52 56.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -72.27 -47.65 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -83.64 -20.67 33.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -78.13 -45.37 23.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -43.12 -28.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.1 mt-10 -99.58 -34.93 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.9 m-80 -91.64 26.22 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.99 -17.62 24.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.17 -13.89 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 35' ' ' ASN . 95.1 mt -67.02 -35.15 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.834 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -83.82 -43.31 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -37.1 71.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -63.87 -30.76 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.13 -5.46 40.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.834 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -152.68 61.48 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 -0.26 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -90.4 -17.47 27.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.607 HD12 HG23 ' A' ' 51' ' ' VAL . 39.3 pt -106.24 -169.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -144.05 -176.06 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.466 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 18.3 t80 -55.11 -29.48 57.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.33 -29.29 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.05 4.82 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 0.74 . . . . 0.0 110.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.607 HG23 HD12 ' A' ' 46' ' ' ILE . 2.9 t -109.55 -39.52 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -81.79 -15.09 76.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -105.94 13.89 28.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -116.5 -37.42 3.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.6 mt -50.74 -27.75 7.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -26.37 53.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.98 -29.85 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 9.2 mttm -78.61 -37.7 41.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.542 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 47.6 t-105 -58.56 -55.27 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -62.58 -28.38 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.3 7.65 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.706 ' O ' HG22 ' A' ' 63' ' ' THR . 3.0 tp -85.23 8.14 19.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 1.0 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.68 157.95 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.679 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.574 1.828 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 1.0 ' H ' HG23 ' A' ' 63' ' ' THR . 1.4 mm-40 -89.72 -23.96 21.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.705 ' HG2' HG22 ' A' ' 63' ' ' THR . 4.2 mm-40 -99.34 -28.91 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.233 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 1.1 ttpp -82.72 -33.1 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -43.65 -55.47 8.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -75.04 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.622 1.853 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -46.6 -55.28 7.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 21.7 tt0 -62.68 -34.92 78.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -60.72 -28.98 69.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -39.86 59.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -66.16 -16.95 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -14.57 60.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.23 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -20.87 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -24.35 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -87.98 -50.27 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -51.59 -37.11 48.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.9 155.36 21.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.65 -30.64 9.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 9.0 t80 -65.53 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mmt -71.09 -34.42 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -62.77 -52.83 61.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD1' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.58 -18.53 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' TYR . . . -80.29 -42.65 22.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.88 -19.2 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.66 -33.52 8.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.687 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.1 m-80 -91.62 20.8 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -2.91 49.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.66 -19.51 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -70.36 -37.81 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -81.86 -54.87 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -49.22 -31.41 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -73.33 -36.91 66.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.28 -10.87 51.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 46' ' ' ILE . 8.4 p30 -152.13 68.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 1.41 7.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.69 -21.81 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 43' ' ' ASN . 43.2 pt -102.45 -177.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 12.5 p -148.73 174.27 12.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' THR . 19.4 t80 -37.92 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -41.16 -41.83 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.425 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -124.95 -20.37 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 46' ' ' ILE . 3.8 t -67.65 -37.75 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.6 -17.88 72.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -105.13 16.2 26.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 0.723 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -41.68 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 35' ' ' ASN . 5.5 mt -42.82 -38.04 2.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.06 -27.79 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.78 -39.22 61.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.3 mmtt -71.62 -31.58 67.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.874 ' CE3' HD22 ' A' ' 62' ' ' LEU . 57.9 t-105 -62.75 -62.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -53.41 -24.4 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.64 -24.79 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.874 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -65.55 -11.3 42.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.48 174.18 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.703 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.01 -12.31 21.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.37 -44.78 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.7 mm-40 -87.51 -25.38 23.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.46 -25.76 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -47.94 -56.79 12.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.592 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -49.56 -59.04 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.8 -34.53 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.66 -36.26 61.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -74.57 -36.8 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -74.56 -14.76 60.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -21.27 56.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.59 -46.2 17.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -19.85 65.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -66.13 -28.85 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.81 -40.6 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -44.63 93.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 8.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.62 152.78 27.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.52 -30.67 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.52 -31.39 72.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.26 -44.81 74.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.79 -43.56 90.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.02 -23.93 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.43 -57.33 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.209 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.42 -26.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.2 mm-40 -92.1 -42.75 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.929 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.4 m-80 -92.58 26.88 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -91.04 -4.73 56.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.35 -24.39 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 35' ' ' ASN . 22.5 mt -61.04 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -88.2 -46.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -27.05 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -69.93 -18.85 63.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.08 -16.09 13.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.552 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 16.2 p30 -138.92 57.45 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -9.59 59.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 2.2 pp -130.08 175.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . 40.2 p -130.26 -172.81 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -39.84 -27.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -46.36 -32.07 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.653 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -136.43 9.62 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -102.9 -45.1 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -64.02 -24.71 68.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -0.09 52.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 0.718 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 39' ' ' VAL . 3.6 tttt -111.88 -25.1 9.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 55' ' ' LEU . 13.9 mt -78.99 -27.38 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.1 85.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -61.86 -27.64 68.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 0.735 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 2.6 mmtt -81.62 -33.09 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 65.5 t-105 -62.07 -49.43 76.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -30.17 69.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.25 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -77.84 1.15 21.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.98 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.12 157.65 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.673 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.98 0.33 9.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.42 1.747 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.98 ' H ' HG23 ' A' ' 63' ' ' THR . 0.4 OUTLIER -89.5 -22.16 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.0 mm-40 -103.84 -31.01 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.528 ' HD2' ' CE2' ' A' ' 59' ' ' TRP . 24.0 mtmt -80.54 -33.35 36.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -39.9 -56.99 2.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.02 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.47 -61.06 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LYS . 35.4 tt0 -53.35 -39.67 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.47 -30.18 60.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -76.36 -35.88 58.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.89 -18.72 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -20.8 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.53 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -18.98 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -74.66 -25.63 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -35.32 19.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -46.64 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.5 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.958 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 25' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -120.47 155.71 32.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -28.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 6.1 t80 -65.55 -45.54 82.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 tpp -64.86 -32.01 73.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -62.24 -45.21 94.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -81.52 -24.68 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -79.33 -49.8 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -41.28 -29.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -100.74 -32.63 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.937 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.2 m-80 -95.12 29.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -96.89 -13.31 22.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.7 m-20 -117.39 -7.4 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 35' ' ' ASN . 59.0 mt -76.63 -34.02 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -84.91 -45.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 8.5 ptm180 -56.04 -30.21 61.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -40.29 92.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.0 -5.44 58.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.818 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -148.87 61.62 5.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.382 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.93 -1.61 11.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.053 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.27 -15.47 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 43' ' ' ASN . 35.1 pt -109.08 -169.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.9 p -146.18 -175.56 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 19.7 t80 -52.94 -33.64 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.72 -37.52 2.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.68 -21.09 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -77.37 -47.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -72.03 -16.45 76.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 16.14 26.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -125.31 -43.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.937 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.9 mt -44.28 -41.12 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.02 -33.95 22.6 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.68 -31.51 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 6.7 mmtt -79.13 -40.72 30.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 73.1 t-105 -53.98 -43.15 69.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.87 57.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -91.51 4.47 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 63' ' ' THR . 1.6 mp -80.38 3.79 20.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.981 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.21 156.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.645 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.04 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.981 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mm-40 -87.95 -26.78 22.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -104.15 -27.87 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -33.55 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -40.6 -56.08 3.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -57.4 4.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.15 -36.4 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -54.59 -29.98 53.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -43.05 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -68.46 -21.3 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -16.72 60.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.44 20.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -16.12 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -63.55 -22.43 66.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.31 -37.84 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 4.5 ttm105 -71.4 -30.59 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.987 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 29' ' ' MET . 80.5 mt . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -98.91 150.21 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.16 -29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' SER . 4.3 t80 -65.32 -49.64 68.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.809 ' HG2' HD22 ' A' ' 25' ' ' LEU . 2.5 mpp? -56.23 -36.25 68.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -75.47 -29.87 59.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -76.46 -53.7 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.81 -27.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' ALA . 30.2 tt0 -98.84 -37.58 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.835 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -93.91 30.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.91 -14.04 35.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.534 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m-20 -117.04 -9.51 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 35' ' ' ASN . 70.8 mt -73.41 -34.07 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -85.19 -46.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.534 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 ptm180 -57.13 -33.08 67.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -64.89 -37.79 88.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.42 -6.75 54.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.807 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -148.38 62.78 6.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.0 Cg_endo -75.03 0.18 9.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.799 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -12.76 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.513 HD12 HG23 ' A' ' 51' ' ' VAL . 19.4 pt -113.33 -179.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 49' ' ' GLY . 7.6 p -142.57 177.37 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -40.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -44.92 -44.72 8.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -1.98 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 46' ' ' ILE . 1.7 t -86.25 -49.88 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.25 -14.2 76.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.068 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.92 14.23 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -120.98 -41.5 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.0 mt -49.19 -36.47 19.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.35 -29.29 37.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.62 -28.79 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 39.4 mttm -79.54 -36.38 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 48.8 t-105 -60.89 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -67.31 -24.05 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.24 5.83 50.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.4 tp -82.12 6.04 17.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.13 171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.491 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.02 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.555 1.818 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.3 mt-10 -83.58 -21.75 32.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.766 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -119.51 -11.5 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.365 1.041 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -92.39 -27.12 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.793 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.8 pt20 -74.89 -32.82 1.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.04 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.442 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 1.7 m-85 -61.39 -48.41 81.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 19.3 tt0 -60.52 -33.27 72.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -64.94 -34.18 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -36.7 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.88 61.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -18.46 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.94 -45.91 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.93 -21.96 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.5 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -38.52 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -44.57 93.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.8 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.12 154.73 17.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.44 -30.82 13.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -63.24 -32.11 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.24 -48.91 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -52.07 -39.51 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.431 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -81.5 -25.47 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -78.15 -48.35 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -44.75 -27.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 4.7 tt0 -101.64 -32.75 10.19 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.795 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.5 m-80 -99.81 33.91 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.9 mmt180 -107.88 3.78 24.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.86 -39.67 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.03 -36.52 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.779 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.72 -42.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -57.62 -30.91 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 t -72.31 -33.53 67.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -87.83 -8.86 55.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 110.238 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.779 HD21 HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -147.9 63.41 7.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.243 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -11.3 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -108.23 -175.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 46' ' ' ILE . 62.3 p -127.62 -172.22 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 8.4 t80 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.29 -7.91 47.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -117.12 -11.77 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.9 t -88.72 -44.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.92 69.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -4.85 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 109.247 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.29 -42.44 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.795 HD21 ' O ' ' A' ' 35' ' ' ASN . 8.5 mt -48.91 -38.91 24.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.13 -26.09 48.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.82 -29.98 56.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.674 ' O ' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -82.09 -31.75 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.901 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -63.05 -48.16 79.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -71.23 -26.97 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.35 4.38 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 58' ' ' LYS . 1.1 mp -83.14 -2.74 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.66 ' CG2' ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 55.2 167.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.6 Cg_endo -75.03 15.3 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.66 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.0 mm-40 -97.16 -41.08 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 40.1 mm-40 -89.25 -25.06 21.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLU . 10.0 ttpt -84.98 -38.61 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 2.1 mt-30 -39.62 -54.04 4.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.3 Cg_endo -75.04 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -51.1 -59.03 4.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -52.71 -41.31 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.35 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -71.88 -35.75 69.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -13.98 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -73.9 -25.82 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -41.83 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.601 1.188 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -22.9 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -30.42 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -86.4 -35.6 19.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.52 -40.85 88.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.89 154.5 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.06 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.56 13.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.76 -32.14 73.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mmt -69.61 -47.71 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -52.88 -42.3 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -78.45 -29.74 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -73.8 -52.16 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.91 -23.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -38.81 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.871 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -96.18 30.73 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 1.4 tmm_? -92.64 -15.2 27.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -116.22 -10.76 11.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 35' ' ' ASN . 73.2 mt -71.85 -34.98 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 HD21 ' A' ' 43' ' ' ASN . 0.7 OUTLIER -84.82 -46.74 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.3 ptm180 -56.19 -33.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.4 t -63.74 -34.19 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -93.56 -6.05 47.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.802 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -148.41 61.95 6.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.98 0.41 8.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -14.56 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' VAL . 36.8 pt -110.18 -171.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -142.18 -175.81 4.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.552 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 3.1 t80 -54.96 -30.13 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.78 -36.86 6.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.481 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.55 -21.99 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.272 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -76.71 -49.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -68.44 -17.73 70.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.44 15.39 28.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.17 -42.6 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.871 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.0 mt -46.43 -39.18 10.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.4 -29.8 17.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.448 1.092 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.6 -28.12 58.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 0.825 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 8.2 mtpt -80.78 -39.92 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.6 t-105 -56.75 -49.46 75.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -70.22 -26.09 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.28 8.4 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' CD2' ' CD1' ' A' ' 31' ' ' PHE . 1.7 tp -84.76 4.23 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.869 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 53.23 169.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.869 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.97 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.589 1.837 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.4 mt-10 -82.97 -22.51 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.259 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -118.68 -11.69 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.581 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 tttm -92.01 -27.15 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.787 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.5 pt20 -74.8 -32.52 1.34 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.06 -55.41 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -51.15 70.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.55 -33.55 72.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.62 -33.73 74.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 -12.92 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.64 59.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.6 -42.02 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -19.15 47.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.93 -25.3 68.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -34.16 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -67.1 -40.74 86.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 111.037 179.94 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.885 HD22 ' HG3' ' A' ' 29' ' ' MET . 1.3 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -122.02 157.54 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HB3' ' HZ2' ' A' ' 59' ' ' TRP . . . -43.79 -27.25 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' HA ' ' CE2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.31 -57.47 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.885 ' HG3' HD22 ' A' ' 25' ' ' LEU . 5.8 tmm? -52.22 -45.74 65.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 58.5 m-85 -50.11 -46.85 54.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.751 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -80.05 -17.57 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -80.76 -52.93 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' ND2' ' SD ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -42.47 -28.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 mm-40 -98.36 -32.98 11.24 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.735 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.9 m-80 -97.22 30.79 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.586 ' CD ' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -104.36 12.03 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.32 -38.55 2.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.408 1.067 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.9 mp -57.79 -37.09 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.847 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.95 -43.64 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -58.34 -37.19 74.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -62.25 -43.56 98.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.63 -10.17 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.847 ' ND2' HG12 ' A' ' 39' ' ' VAL . 3.5 m-20 -138.52 60.09 19.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 1.51 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -18.16 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.1 pt -102.09 177.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -121.01 -169.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -65.95 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.92 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.63 -8.42 60.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.81 -13.75 10.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' CD ' ' A' ' 36' ' ' ARG . 1.4 t -82.91 -42.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.69 -20.76 70.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -79.62 -4.86 53.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 0.828 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' HG11 ' A' ' 39' ' ' VAL . 10.1 tttt -120.18 -46.87 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.8 mt -48.73 -44.17 38.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.16 -31.8 8.88 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.01 -36.27 83.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.5 mttt -75.86 -29.93 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 31' ' ' PHE . 32.2 t-105 -61.49 -60.34 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -60.93 -24.25 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -88.99 -1.65 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.384 1.052 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 70' ' ' TYR . 3.1 tp -80.52 3.38 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.84 168.61 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.01 -24.17 13.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.952 ' H ' HG23 ' A' ' 63' ' ' THR . 2.3 mm-40 -60.11 -37.75 80.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 4.5 mm-40 -91.87 -25.71 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -82.18 -14.96 54.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.521 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -59.35 -58.4 19.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.99 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.55 -58.31 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -59.05 -37.35 76.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.75 -24.06 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -82.51 -52.84 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' N ' ' A' ' 27' ' ' ALA . . . -60.96 -17.27 50.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -16.62 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.47 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -16.19 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -62.32 -27.32 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -88.42 -26.91 21.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 2.2 mtp180 -69.95 -47.42 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.978 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -90.22 145.72 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -40.83 -30.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' SER . 12.6 t80 -67.87 -47.46 68.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 mpp? -62.0 -31.08 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -62.5 -54.88 33.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.46 -26.33 58.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.68 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.1 m-80 -48.94 -24.88 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -106.41 -29.86 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.881 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -93.9 28.27 2.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' NE ' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.46 -16.68 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.52 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.2 m-20 -117.61 -8.23 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 35' ' ' ASN . 62.5 mt -74.69 -34.1 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.837 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -85.21 -45.87 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 7.9 ptm180 -57.03 -33.23 66.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -60.74 -37.94 83.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.58 -11.3 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.877 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -141.5 59.29 9.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.03 6.21 3.54 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -21.94 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.915 HD11 HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -97.55 -177.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' HG12 ' A' ' 46' ' ' ILE . 33.3 p -124.73 -179.23 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 1.1 t80 -60.86 -18.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.87 -13.14 83.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -117.05 -18.29 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.915 HG23 HD11 ' A' ' 46' ' ' ILE . 1.9 t -89.29 -44.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.57 -18.77 75.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.48 16.89 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' GLU . 2.8 mttp -129.17 -43.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.881 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.1 mt -42.44 -45.49 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.96 -35.84 8.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mt-10 -66.59 -30.02 70.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 17.5 mmtt -78.85 -40.9 31.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.428 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 63.9 t-105 -53.94 -45.23 71.18 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -73.88 -25.24 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.74 -7.42 58.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' CG ' ' A' ' 66' ' ' GLU . 1.9 mp -74.39 -2.03 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.943 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.38 169.97 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.458 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -74.98 -27.92 9.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.943 ' H ' HG23 ' A' ' 63' ' ' THR . 2.7 mt-10 -59.49 -45.89 90.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' OE1' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -90.44 -27.85 19.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 63' ' ' THR . 18.8 ttpt -83.37 -6.22 59.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.5 mt-30 -67.54 -57.06 10.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.92 -41.34 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.619 ' CD2' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -53.26 -61.69 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 29.5 tt0 -63.34 -35.35 80.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -58.12 -26.97 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -79.59 -41.91 26.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -69.17 -18.1 63.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -21.89 57.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.242 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -40.73 44.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.45 -12.67 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -72.69 -26.9 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.0 -11.08 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -26.41 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.3 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.971 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -91.97 151.59 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.96 -30.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' N ' ' C ' ' A' ' 26' ' ' SER . 11.9 t80 -64.54 -50.07 68.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.9 mpp? -55.69 -40.87 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -55.64 -51.48 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -72.01 -22.8 61.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HA ' HD13 ' A' ' 55' ' ' LEU . . . -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' MET . 27.7 m120 -56.84 -20.21 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -102.75 -39.15 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.827 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -95.46 28.86 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -16.47 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -10.58 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 35' ' ' ASN . 86.8 mt -69.72 -35.19 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.836 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -84.45 -43.26 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -33.74 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -64.03 -34.33 77.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.73 -7.63 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.836 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.83 63.64 6.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.04 0.4 8.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.11 -11.18 39.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 51' ' ' VAL . 20.2 pt -115.88 -173.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -150.44 -178.74 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.02 -27.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.35 -40.48 10.9 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.381 1.051 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.3 5.51 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.479 HG23 HD12 ' A' ' 46' ' ' ILE . 2.6 t -96.5 -38.16 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.32 76.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 10.95 40.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 5.0 mmtt -112.31 -26.07 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 35' ' ' ASN . 15.7 mt -72.4 -24.82 61.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.65 95.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.2 mttm -84.08 -34.97 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.531 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 49.6 t-105 -61.44 -52.17 65.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -26.89 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -93.87 10.27 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.656 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -87.59 16.39 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.968 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.06 159.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.88 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.968 ' H ' HG23 ' A' ' 63' ' ' THR . 4.0 mt-10 -84.47 -20.54 31.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.2 mm-40 -116.53 -13.59 10.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.53 -26.26 18.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.796 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 7.1 pt20 -75.15 -31.9 1.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.09 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -41.46 93.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 111.054 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -68.8 -33.0 73.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.69 -37.14 80.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -76.16 -39.37 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -12.95 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -22.58 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.18 -33.93 24.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -21.06 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -71.64 -26.28 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -87.54 -41.64 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -47.57 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.959 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 4.9 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -94.34 152.16 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.934 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -41.42 -29.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 8.5 t80 -66.55 -47.27 73.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.7 mpp? -65.11 -30.05 70.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 19.7 m-85 -61.39 -49.14 78.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.5 -26.69 45.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -76.49 -50.4 14.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 1.1 m-80 -40.98 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.3 mt-10 -100.39 -31.5 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.622 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.4 m-80 -95.13 29.08 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 4.2 ttp180 -103.66 8.41 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -114.28 -30.34 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.51 -36.08 76.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.18 -47.32 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 1.1 ptm180 -57.61 -32.96 67.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -33.42 75.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -93.3 -7.15 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.806 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -147.56 61.75 6.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.94 -5.84 17.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.38 -13.77 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.773 HD13 ' HG2' ' A' ' 50' ' ' GLN . 2.2 pp -121.89 171.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLY . 69.4 p -131.46 -171.09 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 10.3 t80 -37.46 -31.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.78 -43.92 1.77 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.773 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.75 -4.11 9.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.754 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -90.72 -46.9 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.556 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -72.32 -8.6 70.96 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -107.65 8.25 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -122.85 -42.81 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 35' ' ' ASN . 6.9 mt -52.14 -41.16 62.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -47.7 -34.47 10.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.06 -33.33 75.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttt -76.47 -32.85 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.505 ' CH2' ' HB1' ' A' ' 27' ' ' ALA . 70.3 t-105 -60.61 -49.01 79.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 107.964 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -65.8 -28.53 69.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.43 6.56 48.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 31' ' ' PHE . 3.7 tp -78.29 -2.32 37.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.91 167.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.666 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -22.79 14.37 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 3.6 mm-40 -63.49 -34.47 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.67 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.3 mm-40 -96.02 -25.78 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -82.02 -28.59 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.3 mt-30 -46.49 -55.92 12.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.486 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.0 -47.04 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -55.33 -72.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 tt0 -46.35 -42.28 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 75' ' ' GLN . . . -63.97 -47.5 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.08 -24.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 71' ' ' GLU . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.854 HE21 ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -70.68 -6.17 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.854 ' N ' HE21 ' A' ' 75' ' ' GLN . . . -102.98 -54.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.94 -24.48 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.87 -28.83 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 -36.22 28.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -64.11 -44.37 92.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.95 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -90.52 155.09 19.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.38 -29.91 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.88 -30.51 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 mmt -74.0 -40.12 63.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -59.1 -44.14 91.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.65 -33.78 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' GLU . . . -71.83 -49.22 40.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -47.27 -23.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 32' ' ' ALA . 3.6 mt-10 -107.28 -29.08 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.918 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.4 m-80 -96.36 31.14 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -99.6 -5.83 28.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.5 t0 -114.22 -32.7 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 35' ' ' ASN . 13.0 mt -57.28 -32.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.848 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.62 -43.96 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -57.82 -37.48 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -64.02 -40.85 97.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.54 -5.78 59.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.848 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -149.56 63.41 6.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.99 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.36 -16.1 29.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 37.2 pt -109.61 -177.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -145.85 179.96 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -45.24 -24.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.55 -49.69 7.05 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' N ' HE21 ' A' ' 50' ' ' GLN . 0.0 OUTLIER -118.62 -15.75 9.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.5 t -65.76 -42.67 92.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.78 14.77 27.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -119.37 -39.65 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.3 mt -49.05 -31.51 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.58 -27.55 48.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.72 -32.09 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.312 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 mttm -78.33 -36.63 46.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.46 -52.72 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.053 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.92 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.211 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -91.38 4.64 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 3.6 tp -80.08 1.87 26.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 51.15 170.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.03 -27.02 10.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.922 ' H ' HG23 ' A' ' 63' ' ' THR . 4.7 mt-10 -61.59 -25.04 67.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.797 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 1.6 mm-40 -116.12 -14.03 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.06 -25.18 19.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.789 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 3.9 pt20 -75.43 -33.2 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.09 -53.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.34 -48.3 80.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 24.4 tt0 -61.71 -36.17 80.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.55 -33.6 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -74.37 -33.59 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -19.66 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 -47.08 12.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.27 -18.27 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -58.85 -29.4 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -89.34 -32.97 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.23 -41.81 98.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 73.5 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 111.01 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.541 0.21 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' O ' ' HB ' ' A' ' 3' ' ' THR . 8.5 p -167.0 151.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER 178.16 88.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.04 139.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -177.48 97.03 0.23 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -178.05 134.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -174.4 150.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 148.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -170.84 127.43 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -147.5 123.54 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.37 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 14' ' ' LYS . 4.6 ptt180 -154.46 142.04 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 13' ' ' ARG . 3.2 mttp 169.35 -168.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm 64.54 145.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -132.86 -172.43 2.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -156.9 157.1 30.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -66.0 77.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.973 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -121.32 145.62 42.77 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -74.97 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -40.0 -60.52 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 164.88 42.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 54.03 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -40.05 153.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -90.75 153.38 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.72 -29.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 41.9 t80 -66.85 -48.69 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.445 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -55.1 -37.06 66.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -62.29 -51.74 66.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.515 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.08 -31.52 69.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.56 -53.63 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' ND2' ' NH2' ' A' ' 36' ' ' ARG . 1.9 m-80 -40.98 -29.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.8 mm-40 -99.11 -35.71 9.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.752 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -93.69 29.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -97.11 -9.32 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -111.63 -29.87 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.438 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.4 mp -56.04 -40.63 64.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.822 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.38 -43.39 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HD2' HG11 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.64 -28.13 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.7 t -73.87 -22.72 59.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -101.69 -8.27 21.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.822 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -148.31 61.68 5.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.08 -17.93 33.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.652 HD12 ' HG2' ' A' ' 50' ' ' GLN . 31.1 pt -106.41 -178.14 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 64.4 p -129.82 -176.16 3.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 9.1 t80 -57.1 -27.5 61.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.33 -36.39 7.52 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.652 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -115.65 -23.01 8.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG11 ' HD2' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -74.0 -50.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.86 -15.05 73.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.55 13.01 34.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.734 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.58 -41.66 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.1 mt -51.16 -34.01 29.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.28 -26.3 28.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.17 -29.66 38.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -80.47 -38.4 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 41.5 t-105 -58.5 -52.31 66.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 107.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -66.35 -27.76 68.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -87.79 -1.44 57.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.5 tp -78.58 0.82 24.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.651 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 56.64 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.99 -7.1 18.86 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.59 -40.74 48.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 4.9 mm-40 -87.25 -29.41 21.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -13.97 54.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.503 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.2 mt-30 -61.61 -56.99 27.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -75.01 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -54.59 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -56.13 -38.89 71.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -57.88 -25.13 60.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -78.94 -40.85 30.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.65 -13.19 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -14.98 59.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.79 -36.14 9.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.08 -17.63 19.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt -55.0 -24.67 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.78 -41.07 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.41 -33.35 67.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 21' ' ' PRO . 8.5 t80 -62.0 -15.4 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.34 -19.76 30.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -39.68 84.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.41 -12.0 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.64 -33.14 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.51 -34.81 76.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.791 ' O ' HG23 ' A' ' 91' ' ' THR . 0.0 OUTLIER -76.41 -44.87 34.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.973 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 5.5 t80 -51.35 -48.38 62.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -72.54 -34.41 67.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.88 -25.48 29.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 87' ' ' LEU . 5.8 p -79.63 -28.18 40.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.8 pp -121.77 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.39 176.89 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 3' ' ' THR . 10.1 t -136.72 114.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.14 15.02 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.571 1.827 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -173.26 179.61 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 67.96 93.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -174.83 2.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 179.09 7.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 151.06 36.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.868 ' NH2' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -132.96 19.52 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.7 m -74.94 97.76 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 m -149.88 106.66 3.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 175.15 130.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.18 160.8 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.603 1.19 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.82 67.14 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -117.03 -175.52 2.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 59.85 158.14 0.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.95 -159.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -69.54 77.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.965 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -123.56 146.92 51.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.02 136.71 20.71 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -47.55 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.88 101.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.34 108.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' ' 25' ' ' LEU . 3.3 mp -57.91 166.29 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.5 OUTLIER -104.82 152.12 22.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.08 -29.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -66.76 -48.9 67.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -53.55 -39.45 64.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -62.0 -51.55 67.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -33.39 74.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -74.15 -55.3 6.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -40.24 -29.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -95.7 -37.1 10.94 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.828 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -93.23 29.01 2.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -101.68 1.75 37.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.76 -36.76 4.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 mp -55.23 -38.3 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.756 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.67 -42.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -55.93 -33.69 64.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.0 t -59.15 -42.31 90.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.4 -6.66 58.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.756 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -147.66 62.73 7.19 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 0.73 8.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.2 -11.88 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.81 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.5 pp -121.37 167.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.868 HG21 ' NH2' ' A' ' 10' ' ' ARG . 44.3 p -132.02 -173.63 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 6.2 t80 -37.68 -30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.595 1.184 . . . . 0.0 111.047 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -36.82 -47.93 1.3 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.458 1.099 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.9 -10.76 9.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.81 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.3 t -79.16 -45.68 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -77.24 -3.89 82.8 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -101.51 -7.3 22.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -116.41 -28.44 6.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.7 mt -62.99 -27.81 69.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.72 -34.21 87.82 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.582 1.177 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.53 -30.82 69.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.0 mmtt -78.22 -35.33 48.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -58.38 -49.82 75.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -66.02 -29.94 70.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.386 1.054 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.99 57.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LYS . 2.3 tp -76.62 -1.85 29.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.852 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 55.78 168.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.96 -9.04 20.65 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.045 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.0 -45.13 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 35.0 mm-40 -85.52 -29.1 24.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.13 -11.82 57.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.631 1.207 . . . . 0.0 109.225 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.512 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.1 mt-30 -63.07 -57.48 20.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -43.57 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -60.07 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.43 -38.27 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.59 -30.91 61.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -75.99 -37.92 57.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.67 -16.85 63.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -19.65 60.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.64 -50.56 9.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -56.66 -19.0 14.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -66.3 -30.36 70.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.35 -42.5 22.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -59.78 -39.46 84.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 49.1 t80 -60.94 -17.29 50.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.89 -20.65 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.206 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 m -66.58 -58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.036 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.08 -31.8 73.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.209 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -30.81 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 2.3 tt0 -60.12 -49.77 76.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.78 -48.14 69.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.965 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.6 t80 -56.38 -48.38 77.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 1.1 t30 -72.42 -35.54 68.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.612 1.195 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -65.44 -14.39 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -42.05 16.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.5 pp -85.25 -43.83 13.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' C ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.525 0.202 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG22 ' C ' ' A' ' 1' ' ' MET . 16.0 m 40.82 65.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.48 110.41 62.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 94.33 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.462 1.77 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -170.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.28 148.71 70.81 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.278 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 68.71 5.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.537 1.809 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -164.28 137.15 5.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -47.91 116.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -169.02 140.92 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 110.318 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 t -101.24 138.14 38.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 m -137.0 97.99 3.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.437 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -84.86 142.06 30.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -64.16 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -164.3 67.44 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mttt 57.77 96.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.95 143.08 24.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' C ' ' ND2' ' A' ' 19' ' ' ASN . 18.3 Cg_endo -75.0 -158.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.041 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 38.7 72.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.01 151.15 18.6 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.46 19.15 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -40.9 -71.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.243 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.12 92.09 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.679 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -52.03 111.73 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mp -85.83 159.39 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 154.29 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.964 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.509 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.5 -30.19 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -30.82 71.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.2 -38.83 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 65.0 m-85 -60.79 -48.0 83.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.55 -29.94 61.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -75.54 -54.27 7.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -28.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -99.1 -32.19 11.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.737 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.3 m-80 -97.71 31.43 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -103.96 10.79 36.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.19 -39.83 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -55.8 -39.02 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.859 HG12 HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -82.38 -42.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -30.64 66.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.6 t -71.88 -30.47 65.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -90.97 -6.44 54.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.859 HD21 HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -148.42 63.27 7.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.159 . . . . 0.0 109.237 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 0.45 8.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.535 1.808 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.84 -14.52 24.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 47' ' ' THR . 0.5 OUTLIER -103.05 -172.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.436 ' N ' HG13 ' A' ' 46' ' ' ILE . 8.2 p -128.43 -168.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.673 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 9.8 t80 -67.33 -32.32 73.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.59 -8.53 67.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -119.03 -7.9 10.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 55' ' ' LEU . 2.1 t -95.22 -40.12 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' HA3' HH21 ' A' ' 36' ' ' ARG . . . -67.27 -21.62 72.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -9.49 59.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.6 0.823 . . . . 0.0 109.296 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 16.2 mmtt -111.31 -27.07 8.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.737 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.1 mt -76.29 -25.5 54.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.05 -40.62 98.33 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 1.4 pt-20 -69.21 -26.04 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 62' ' ' LEU . 4.6 mttp -80.99 -37.75 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.555 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 41.3 t-105 -58.82 -52.05 67.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.77 -29.28 69.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.54 1.35 55.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 2.1 tp -80.46 2.49 25.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.811 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.74 169.99 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.03 -9.67 20.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.9 -43.7 57.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 32.9 mm-40 -85.7 -27.42 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -12.76 56.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.222 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -62.75 -57.07 23.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -52.2 -59.79 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 4.8 tt0 -60.2 -34.59 73.84 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.09 -32.71 64.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -77.79 -36.3 50.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.22 -15.24 61.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -21.83 56.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.46 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -60.68 -22.73 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -70.6 -24.81 62.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -42.67 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -37.13 69.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.679 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 63.9 t80 -67.77 -9.12 41.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -93.62 -19.68 20.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.27 -55.9 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.74 -32.07 73.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -62.65 -29.57 70.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.92 -50.84 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -52.73 39.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -51.54 -44.27 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -70.06 -28.4 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.83 -14.43 58.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -5.9 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -79.59 -57.82 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.5 p -168.1 133.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.69 94.2 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.17 18.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 ptm85 -178.37 145.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 170.56 80.98 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.76 36.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -173.29 151.77 2.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.4 133.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.219 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -179.24 121.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -157.3 129.42 7.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -148.0 142.75 26.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.459 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.17 92.82 1.02 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.252 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -174.86 157.31 2.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.61 -72.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.31 158.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -176.95 137.45 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.05 -159.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -65.58 76.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.065 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -133.97 162.41 57.86 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.95 159.56 41.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.783 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -91.56 57.48 3.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 22' ' ' LYS . 1.3 ptt180 36.92 86.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.86 106.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.75 162.05 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.6 154.56 19.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.43 6.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 2.6 t80 -63.68 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.404 ' O ' ' OD1' ' A' ' 33' ' ' ASN . 11.8 mmt -72.88 -42.41 63.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -54.96 -44.17 74.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -78.49 -21.59 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.14 -47.8 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 29' ' ' MET . 30.2 m120 -48.74 -23.72 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -39.35 8.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.783 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -93.85 28.17 2.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.42 -11.59 37.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -110.66 -27.26 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 mt -55.7 -43.25 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.819 HG12 HD21 ' A' ' 43' ' ' ASN . 0.7 OUTLIER -82.14 -42.75 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -58.93 -33.35 70.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.085 . . . . 0.0 110.309 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 37' ' ' ASP . 31.0 t -61.06 -35.88 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.75 -8.93 39.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.819 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -146.75 61.81 7.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.473 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.06 -3.53 14.06 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.48 1.779 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.91 -17.95 30.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.498 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 45.9 pt -109.24 -167.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.8 p -148.07 -174.41 4.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.4 -33.42 30.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.596 1.185 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.24 -38.14 3.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.51 -14.95 8.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.22 -37.93 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' OH ' ' A' ' 28' ' ' TYR . . . -67.07 -31.99 79.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.088 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.93 0.46 27.34 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.93 -29.71 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 35' ' ' ASN . 18.1 mt -76.29 -34.62 59.08 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.423 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -57.98 -46.12 92.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.072 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -63.71 -25.36 68.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 0.759 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.1 mmtt -80.12 -35.89 36.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.2 t-105 -60.79 -54.17 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.047 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -27.8 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.57 4.68 53.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 58' ' ' LYS . 3.1 tp -82.54 5.83 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.444 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 54.52 166.64 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.98 -1.88 11.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -83.02 -39.15 21.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.448 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 10.8 mm-40 -85.3 -29.74 24.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -81.81 -24.56 35.82 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -49.62 -57.32 12.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.5 Cg_endo -75.01 -49.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -52.57 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 111.081 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -55.75 -37.92 69.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.64 -28.51 60.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.245 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -77.85 -38.79 45.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.77 -15.4 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -20.0 59.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.84 -50.62 9.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.17 10.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.01 -26.95 69.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -84.35 -48.32 9.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -53.5 -37.84 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 61.4 t80 -63.08 -15.72 57.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.1 -19.7 26.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -55.2 12.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -67.03 -28.47 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -29.76 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.425 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 3.1 mt-10 -62.77 -47.37 83.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -70.48 -43.72 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.227 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.065 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.0 t80 -50.03 -43.98 51.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.88 ' HA ' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -80.71 -30.79 36.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -63.45 -35.42 80.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 88' ' ' TYR . 13.6 t -80.15 -17.62 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 89' ' ' ASN . 17.0 mt -71.95 -55.67 7.05 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.538 0.209 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.36 175.38 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 6.8 t -157.08 145.88 14.76 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.3 Cg_endo -74.99 -176.16 2.73 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.476 1.777 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -138.26 -53.29 0.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 mt-10 66.09 139.16 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 6' ' ' GLU . 18.3 Cg_endo -74.95 -170.86 0.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER 174.1 169.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.304 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.31 -66.23 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER 63.23 141.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.345 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.5 m -130.35 135.56 48.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -127.99 113.41 15.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.47 124.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -70.87 -73.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? 63.86 124.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -45.69 108.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -124.92 152.91 70.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.366 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -74.98 -159.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.521 1.801 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.1 p-10 -64.96 76.56 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.034 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -130.39 167.94 18.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.177 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -75.01 139.84 24.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.453 1.765 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 53.65 2.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 41.09 84.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.43 122.18 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.152 . . . . 0.0 109.232 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 HD23 ' SD ' ' A' ' 29' ' ' MET . 0.9 OUTLIER -57.93 166.85 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -97.56 153.16 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.72 -29.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.98 -43.74 91.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.3 mtm -65.92 -34.12 77.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -59.6 -46.94 87.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -17.04 57.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -85.64 -48.38 8.93 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -40.89 -29.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.238 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -99.79 -33.83 10.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.245 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.755 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.9 m-80 -96.47 31.92 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 18.2 tpp180 -98.75 -6.51 29.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 57.9 m-20 -110.85 -25.15 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.6 mp -64.05 -38.32 82.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -83.02 -46.12 18.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -54.97 -33.03 62.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.9 t -67.0 -31.49 72.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.71 -6.55 45.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.264 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.8 HD21 HG12 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -148.19 61.96 6.27 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.0 -1.3 11.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.71 -18.93 29.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.3 pt -102.81 -168.58 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.2 p -129.8 -168.82 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 15.6 t80 -68.57 -38.4 80.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.69 -8.69 48.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.578 1.173 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.89 -10.97 10.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.5 t -88.98 -42.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.37 -14.83 67.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.94 -4.01 55.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.73 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.89 -43.37 2.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.0 mt -48.2 -39.02 19.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.81 -30.08 8.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.0 -28.47 60.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 0.722 . . . . 0.0 110.255 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LEU . 5.6 mptt -78.87 -37.15 41.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.42 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 47.8 t-105 -59.14 -54.36 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 107.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.28 -26.72 68.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.16 -6.08 58.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.7 tp -75.57 -4.68 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.857 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 57.83 168.16 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.415 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.857 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -5.18 16.45 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.512 1.796 . . . . 0.0 110.964 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -79.76 -43.05 23.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.9 mm-40 -87.38 -27.03 23.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -82.81 -20.23 36.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.499 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.3 mt-30 -54.81 -56.87 22.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.97 -47.83 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.438 1.757 . . . . 0.0 111.007 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.15 -56.53 12.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -61.12 -36.13 78.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.4 -26.34 65.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.345 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -78.73 -40.39 33.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -68.99 -20.08 64.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -16.21 60.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.234 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.99 -46.08 14.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.61 -17.7 24.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -33.79 70.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -40.27 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -42.26 98.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.225 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.622 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 11.8 t80 -67.07 -13.87 62.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -91.19 -34.49 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -41.83 84.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.024 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -16.76 54.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.41 -30.45 53.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 1.4 mm-40 -64.06 -27.93 69.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.2 -44.85 12.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.034 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.9 t80 -55.36 -44.98 76.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -70.75 -33.62 70.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.92 -27.7 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -23.74 64.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.99 -63.58 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.476 0.179 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.5 t -150.43 150.79 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 62.0 p -127.79 138.85 33.77 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.406 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.4 Cg_endo -74.96 -173.99 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -131.42 164.15 26.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.93 16.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -174.54 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.812 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -145.18 178.11 8.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.66 178.42 7.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -164.37 165.17 21.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -125.69 163.8 22.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.0 m -117.73 -66.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.27 167.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -173.0 -171.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 161.25 23.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -129.82 117.79 20.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -93.45 156.72 39.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -159.9 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.519 1.799 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 5.4 p30 -72.19 78.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -127.93 142.18 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.95 168.97 23.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.89 62.18 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HA ' ' CD1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 39.15 39.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 77' ' ' ASP . . . 39.04 57.05 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD23 ' SD ' ' A' ' 29' ' ' MET . 6.0 mp 54.66 169.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.62 149.91 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.991 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.75 -30.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' N ' ' C ' ' A' ' 26' ' ' SER . 25.4 t80 -62.96 -47.95 80.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.1 mtm -62.16 -37.91 87.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -56.38 -43.74 79.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -81.43 -24.05 37.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -78.37 -46.91 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -41.62 -27.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' N ' ' C ' ' A' ' 32' ' ' ALA . 36.4 mt-10 -106.37 -26.28 11.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.7 m-80 -102.0 36.09 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -108.49 3.26 22.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 15.3 t0 -119.1 -40.71 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.8 mp -53.99 -33.59 24.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.845 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -80.22 -41.61 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.466 HH21 ' HB ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -57.94 -36.89 73.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 1.164 . . . . 0.0 110.315 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.8 t -60.17 -45.66 92.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.01 -7.62 58.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.845 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.49 63.17 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.386 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.97 0.2 9.18 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.488 1.783 . . . . 0.0 111.042 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.45 -12.91 20.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.801 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.4 pp -126.21 162.8 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 ' HB ' HH21 ' A' ' 40' ' ' ARG . 41.4 p -128.18 -170.99 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.366 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' H ' ' NH2' ' A' ' 40' ' ' ARG . 6.5 t80 -37.38 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.09 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -37.81 -51.71 2.0 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.733 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.2 OUTLIER -116.88 -16.49 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.801 HG23 ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.9 -46.97 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.56 -8.96 73.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -97.44 3.31 50.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -121.13 -42.91 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.818 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.9 mt -46.54 -37.18 7.61 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.94 -32.52 62.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.52 -29.96 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.407 0.71 . . . . 0.0 110.325 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 45.3 mttp -79.86 -33.96 39.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -60.86 -53.6 55.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 107.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -66.11 -26.83 67.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.23 0.18 57.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 31' ' ' PHE . 2.3 tp -80.54 2.18 26.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.744 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.49 170.94 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.443 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.6 Cg_endo -74.94 -8.25 19.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.425 1.75 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -75.14 -40.23 59.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' CB ' ' HG ' ' A' ' 62' ' ' LEU . 28.3 mm-40 -87.89 -29.04 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.54 -11.97 56.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -64.17 -56.61 22.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.357 1.036 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.01 -43.73 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -54.96 -64.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.66 -38.33 69.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.83 -27.85 60.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -76.9 -40.01 48.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -15.66 63.66 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 1.184 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -7.91 58.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 110.404 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.68 -39.55 9.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' CG ' ' HB3' ' A' ' 24' ' ' ALA . 1.5 p30 -55.97 -19.14 11.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -48.88 -33.97 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 -38.24 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -66.92 -33.3 75.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 23' ' ' ARG . 3.7 t80 -75.52 -3.09 32.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -34.58 13.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 110.244 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -45.66 91.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.144 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -23.93 60.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -68.99 -28.91 67.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 3.1 mm-40 -62.0 -53.13 59.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.13 -46.66 85.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 4.7 t80 -61.08 -58.95 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.439 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -59.1 -34.21 71.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.334 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -68.58 -24.54 64.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.95 -21.43 47.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.78 -61.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.338 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.48 0.181 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.68 176.85 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 3' ' ' THR . 6.9 t -160.51 103.99 1.34 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.386 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 163.56 35.01 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 177.44 146.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -176.1 109.27 0.25 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 163.91 34.41 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.55 1.816 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -169.48 157.68 7.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.79 164.6 2.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -153.76 170.31 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.348 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 12' ' ' THR . 7.3 m -146.34 -65.76 0.29 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER 49.46 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.402 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' N ' HG23 ' A' ' 12' ' ' THR . 6.5 mtm180 179.27 151.92 0.37 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.02 -178.82 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt 59.47 155.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.59 171.18 11.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.72 143.04 39.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -74.95 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.3 p-10 -65.08 77.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -129.06 161.08 60.31 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.99 152.45 40.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -90.1 55.56 3.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER 38.58 90.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.21 109.54 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.09 164.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -99.44 153.45 18.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.048 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.34 -26.47 0.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' SER . 38.2 t80 -67.66 -49.17 64.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.085 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -31.67 66.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 9.4 m-85 -65.57 -53.97 34.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.575 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.5 -11.26 59.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.965 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -89.54 -46.68 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HA ' ' NH1' ' A' ' 36' ' ' ARG . 1.3 m-80 -45.59 -26.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.18 -33.07 10.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.759 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.3 m-80 -95.69 28.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.34 -12.39 26.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -110.24 -26.42 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.2 mp -58.03 -42.63 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.794 HG12 HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -79.83 -44.35 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.733 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -55.53 -34.57 64.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.4 t -63.43 -43.14 98.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -81.82 -6.71 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.794 HD21 HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -146.25 63.24 8.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -75.04 -5.97 17.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.11 -14.6 49.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 ' CG ' ' A' ' 50' ' ' GLN . 32.5 pt -111.37 -166.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.3 p -156.82 -179.43 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.358 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -40.97 -27.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.399 1.062 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -39.97 -47.44 3.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -120.06 -21.31 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.221 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.733 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.5 t -60.19 -46.04 95.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.04 -13.26 83.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 13.9 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 9.3 mtmt -123.66 -42.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 35' ' ' ASN . 3.9 mt -41.23 -35.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.4 -27.78 3.02 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.495 1.122 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -76.34 -34.3 58.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.791 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 5.3 mttm -75.54 -32.68 60.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.82 ' CE3' HD22 ' A' ' 62' ' ' LEU . 64.1 t-105 -64.3 -60.31 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -23.02 32.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.91 -18.81 24.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -68.21 -9.66 48.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 51.58 173.37 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.375 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.96 -8.15 19.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.06 -37.13 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 26.3 mm-40 -96.56 -23.58 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' CG ' ' HA ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -81.14 -31.75 34.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 1.175 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.646 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.2 mt-30 -42.75 -56.81 5.53 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.08 -50.59 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.446 1.761 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.11 -63.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 111.033 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.44 ' CB ' ' HD2' ' A' ' 67' ' ' LYS . 3.8 tt0 -56.91 -37.72 71.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -53.98 -31.26 50.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -77.69 -36.93 50.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -73.18 -16.15 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -20.6 59.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.86 -50.56 9.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.09 -19.2 12.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.3 tttm -61.91 -27.14 68.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -47.62 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -41.83 65.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.678 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 11.0 t80 -59.14 -18.4 35.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -84.96 -18.92 33.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.05 -51.48 61.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.12 -26.65 61.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -26.49 61.63 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.404 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -62.49 -40.83 97.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -75.17 -44.75 44.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.898 ' O ' HG22 ' A' ' 91' ' ' THR . 4.0 t80 -50.51 -46.04 56.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -76.12 -28.74 57.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 87' ' ' LEU . . . -67.49 -31.3 71.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.898 HG22 ' O ' ' A' ' 88' ' ' TYR . 15.0 t -80.57 -4.24 53.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -55.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.423 0.154 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -173.09 62.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 3' ' ' THR . 5.0 t -100.82 108.01 51.94 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 110.406 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.39 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.456 1.767 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -136.85 165.9 24.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.13 144.64 54.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.78 9.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -144.03 124.19 13.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -171.44 156.9 4.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.237 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 115.1 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -62.59 162.32 10.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -123.24 160.12 27.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -82.48 159.26 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.79 157.52 16.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.05 171.29 11.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 112.31 18.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.4 165.17 13.44 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -71.25 78.27 0.72 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.039 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -120.71 153.92 57.01 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.6 36.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.61 44.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 48.17 94.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -44.6 112.77 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.0 mp -61.27 166.07 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.29 155.93 16.53 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.153 . . . . 0.0 110.067 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.26 -26.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' SER . 20.2 t80 -70.2 -49.1 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.439 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.1 mpp? -62.29 -22.77 66.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.0 m-85 -71.99 -52.97 14.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.56 ' HB2' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -77.43 -14.28 59.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 55' ' ' LEU . . . -86.28 -50.68 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -45.15 -26.51 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 mm-40 -99.17 -31.81 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.394 1.059 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.556 ' N ' HD22 ' A' ' 35' ' ' ASN . 1.5 m-80 -96.32 25.34 5.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.719 ' CD ' HG11 ' A' ' 51' ' ' VAL . 1.2 tmm_? -96.61 4.23 52.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.9 m-20 -112.48 -19.49 12.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.4 mp -75.34 -37.07 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.713 HG12 HD21 ' A' ' 43' ' ' ASN . 1.3 t -82.7 -44.08 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.4 OUTLIER -54.11 -31.43 52.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -58.06 -45.77 86.51 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.01 -8.65 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.713 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -144.98 63.0 9.71 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 -1.07 10.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.82 -12.76 26.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.871 ' CD1' HG23 ' A' ' 51' ' ' VAL . 2.2 pp -123.33 165.84 19.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLY . 28.0 p -130.89 -170.3 2.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.452 1.095 . . . . 0.0 110.343 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 2.4 t80 -37.89 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.19 -48.27 2.09 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.603 1.189 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.43 ' O ' ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -118.25 -22.09 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 110.245 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.871 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.4 t -60.39 -44.12 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.78 -11.64 73.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.578 1.174 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 0.88 48.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -118.81 -47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 32' ' ' ALA . 4.9 mt -40.74 -37.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.72 -32.28 5.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.64 -32.62 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 62' ' ' LEU . 28.6 mttt -76.46 -35.93 58.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.844 ' CE3' HD22 ' A' ' 62' ' ' LEU . 65.2 t-105 -60.52 -63.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 107.991 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -52.51 -27.05 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.99 -24.63 30.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.844 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -64.81 -12.08 44.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' CD ' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.21 176.33 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.362 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.468 ' CD ' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.0 -10.58 21.27 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -36.15 77.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.8 mm-40 -100.19 -24.19 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.548 ' CB ' HD21 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -82.8 -17.99 42.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.9 mt-30 -55.4 -57.27 21.43 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.14 -43.29 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -56.34 -62.95 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.96 -38.8 73.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.42 -32.79 58.1 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -74.13 -36.64 64.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.53 -12.36 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -21.12 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -85.39 -41.26 15.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -65.28 -13.89 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -73.84 -20.4 60.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -98.31 -19.39 17.82 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.251 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -34.27 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.648 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 51.3 t80 -67.98 -12.62 61.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.79 -19.54 30.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -47.65 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.13 -34.14 68.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -33.49 76.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.229 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.47 -49.92 75.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -49.07 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.244 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.039 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 2.6 t80 -54.88 -43.67 73.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -67.89 -44.27 77.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.4 -35.88 63.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -74.11 -30.91 62.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.448 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mp -61.93 99.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mtp . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.466 0.174 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -165.07 153.26 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.738 HG23 ' HD2' ' A' ' 4' ' ' PRO . 2.5 m -49.37 146.53 6.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.738 ' HD2' HG23 ' A' ' 3' ' ' THR . 18.5 Cg_endo -74.96 172.67 15.9 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.487 1.782 . . . . 0.0 111.054 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -132.24 -179.19 5.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 59.86 88.9 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 179.48 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.28 170.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -132.83 174.81 9.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -103.56 171.45 7.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -61.34 140.36 58.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 t -118.1 170.56 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 62.43 157.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.76 150.97 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.68 174.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.26 178.09 4.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.8 136.25 23.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -66.17 76.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.946 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -125.12 159.29 60.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 167.44 27.06 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 23' ' ' ARG . 11.1 tttp -102.47 56.56 0.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.125 . . . . 0.0 109.354 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 35.89 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.37 123.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.356 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' HG2' ' A' ' 29' ' ' MET . 97.5 mt -80.77 169.21 17.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -99.03 153.44 18.86 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.86 -29.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 26' ' ' SER . 9.8 t80 -67.18 -45.89 75.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.51 ' HG2' HD22 ' A' ' 25' ' ' LEU . 1.5 mpp? -68.19 -26.04 65.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.0 m-85 -66.98 -45.11 78.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.31 -27.66 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -74.82 -46.26 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.3 -28.42 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -104.59 -31.82 9.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.18 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.694 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.4 m-80 -93.47 28.07 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.608 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -98.78 -3.46 35.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.12 -32.34 6.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 35' ' ' ASN . 1.7 mp -56.56 -41.38 73.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.83 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -80.66 -42.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -29.39 26.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 t -77.61 -17.94 57.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -102.38 -15.22 16.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.83 ' ND2' HG12 ' A' ' 39' ' ' VAL . 13.9 p30 -138.53 60.47 20.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.499 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.15 -15.58 23.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HB2' ' A' ' 50' ' ' GLN . 0.7 OUTLIER -99.77 -176.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 46' ' ' ILE . 11.8 p -122.5 -167.56 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.414 1.071 . . . . 0.0 110.398 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -71.13 -24.18 62.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.133 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.48 -9.55 85.98 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.484 1.115 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HB2' HD12 ' A' ' 46' ' ' ILE . 1.1 mt-30 -117.48 -12.18 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 110.35 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.402 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -87.15 -47.16 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -74.54 -6.52 76.8 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.05 4.35 42.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -121.07 -43.47 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.694 HD21 ' O ' ' A' ' 35' ' ' ASN . 7.6 mt -46.9 -39.17 11.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.07 -31.27 10.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.28 -31.04 65.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.57 ' O ' HD13 ' A' ' 62' ' ' LEU . 6.6 mmtt -78.64 -31.01 46.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.461 ' HE3' HD22 ' A' ' 62' ' ' LEU . 54.7 t-105 -63.85 -51.29 65.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -26.59 67.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.87 3.66 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -80.71 2.75 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.173 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.963 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.92 158.6 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.457 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.696 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.9 -0.14 9.56 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.963 ' H ' HG23 ' A' ' 63' ' ' THR . 3.4 mm-40 -87.26 -25.2 24.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 8.0 mm-40 -101.74 -28.55 12.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 -28.94 32.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -45.61 -56.92 8.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.28 -57.72 7.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.67 -32.7 72.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -62.77 -26.11 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -79.37 -39.45 32.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.41 -15.49 62.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.064 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -22.83 56.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.415 1.072 . . . . 0.0 110.239 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -45.74 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -64.74 -12.96 52.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.48 -28.35 69.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -98.89 -36.84 9.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -22.66 40.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 72.2 t80 -80.14 -17.0 53.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.65 -19.62 27.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -40.5 60.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.48 -16.36 49.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.7 -32.03 31.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 12.2 mt-10 -59.18 -48.04 83.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.98 -46.86 73.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.946 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 5.5 t80 -57.49 -50.66 72.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -69.32 -38.09 78.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.153 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -59.25 -23.89 62.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.41 -31.24 24.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.391 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.0 104.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.557 0.218 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -167.09 149.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.6 p -69.13 113.1 14.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -175.44 2.36 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.477 1.777 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.29 165.68 35.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -171.65 129.01 0.66 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.175 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.62 5.17 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.525 1.803 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 9' ' ' LYS . 8.6 tptt -157.07 -61.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER 45.28 -168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 9' ' ' LYS . 20.1 mtm180 61.19 121.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.251 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.2 t -161.53 170.88 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -118.75 -177.38 3.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -164.61 120.18 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 174.79 126.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.81 116.09 7.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.19 136.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 177.1 169.88 0.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.05 -159.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.452 1.764 . . . . 0.0 110.944 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -65.07 76.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.693 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -138.42 158.77 69.99 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.32 55.65 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 51.5 99.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.61 120.35 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mp -42.55 163.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.71 157.77 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.055 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.9 -28.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' CD2' ' SD ' ' A' ' 29' ' ' MET . 4.5 t80 -65.7 -47.49 75.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.406 ' SD ' ' CD2' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -65.38 -30.36 71.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.981 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 5.5 m-85 -63.29 -44.06 96.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -83.09 -26.42 31.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -76.81 -46.4 25.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -50.02 -24.15 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -101.71 -37.22 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.233 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.721 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.6 m-80 -94.19 29.1 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -91.72 -9.56 43.33 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.555 1.16 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -111.61 -24.4 10.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.3 mp -60.41 -40.57 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 HD21 ' A' ' 43' ' ' ASN . 1.0 OUTLIER -79.23 -44.91 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 47' ' ' THR . 66.8 mtp85 -55.15 -36.67 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.69 -39.12 83.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.117 . . . . 0.0 110.002 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.66 -6.31 58.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.802 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -149.83 62.98 6.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.99 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -13.61 34.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 43' ' ' ASN . 20.5 pt -113.39 -170.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.467 HG23 ' C ' ' A' ' 46' ' ' ILE . 20.6 p -155.52 -179.61 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -37.41 -31.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -40.79 -45.72 3.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.27 2.5 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 HD12 ' A' ' 46' ' ' ILE . 2.2 t -89.31 -41.76 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.187 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.48 -9.62 84.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -104.9 8.12 34.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.63 -40.67 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.721 HD11 ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -50.42 -34.78 25.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.86 -30.88 37.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.95 -30.79 64.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 86.2 mttt -78.18 -34.8 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -60.18 -52.57 64.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -64.13 -28.45 69.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.1 9.23 40.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' THR . 4.1 tp -82.2 4.27 24.06 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 53.72 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.716 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.07 -1.58 11.43 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 0.5 OUTLIER -86.82 -23.85 25.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.734 ' HG2' HG22 ' A' ' 63' ' ' THR . 19.6 mm-40 -104.06 -28.23 11.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -82.04 -27.75 32.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.7 mt-30 -47.22 -56.66 11.57 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.426 1.751 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -49.57 -59.66 3.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -60.49 -35.92 77.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.15 -27.1 66.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 tptt -76.93 -41.03 45.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -66.16 -18.41 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -16.43 59.73 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.132 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.64 -47.56 12.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -19.02 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -52.16 -28.05 16.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.573 1.17 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.97 -46.37 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.68 -43.24 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 56.7 t80 -52.77 -19.39 2.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.92 -20.22 29.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -46.52 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -78.75 -19.82 51.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.25 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -77.19 -34.53 56.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.1 . . . . 0.0 109.339 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -58.17 -38.1 76.0 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -74.96 -44.15 50.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.802 ' O ' HG22 ' A' ' 91' ' ' THR . 5.7 t80 -53.87 -52.29 60.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.477 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -64.57 -29.66 70.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -66.24 -18.17 65.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.802 HG22 ' O ' ' A' ' 88' ' ' TYR . 1.1 t -87.27 -2.68 58.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.79 175.95 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.563 0.221 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 3' ' ' THR . 10.9 p -101.14 166.0 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.438 ' N ' HG22 ' A' ' 2' ' ' VAL . 25.4 m -54.61 108.21 1.08 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -173.57 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.03 -179.32 3.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.54 163.85 45.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.64 2.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -141.01 -178.95 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -177.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -166.8 142.35 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -42.82 127.37 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.6 m -69.21 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 -178.76 7.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -146.12 148.65 32.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.47 175.64 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -120.16 -63.31 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 16' ' ' LYS . 3.1 m-20 60.93 122.65 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -158.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.457 1.767 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.716 ' OD1' HD13 ' A' ' 87' ' ' LEU . 3.1 m-80 41.77 73.64 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -155.95 150.63 20.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.95 171.36 18.47 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 40.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.403 1.064 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.92 91.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -46.16 107.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.5 mp -63.45 166.29 6.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -93.35 151.87 19.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 109.95 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.5 -28.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.432 ' N ' ' C ' ' A' ' 26' ' ' SER . 16.3 t80 -65.87 -45.21 82.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.482 ' SD ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.65 -32.58 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 43.7 m-85 -64.06 -45.01 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.96 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.436 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -83.53 -16.26 46.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -88.32 -45.67 9.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.4 m-80 -46.87 -25.67 0.82 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.448 1.093 . . . . 0.0 109.233 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.9 mm-40 -102.1 -34.22 9.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.767 ' HA ' HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -93.64 26.85 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.13 -16.04 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.49 -14.43 12.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' ' 35' ' ' ASN . 94.3 mt -66.4 -36.09 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -85.41 -43.55 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -28.63 64.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -75.06 -23.47 58.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.044 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -101.56 -5.92 24.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.805 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -153.18 62.9 4.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.05 -0.84 10.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -89.88 -12.73 38.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 28.2 pt -112.3 -169.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 44.6 p -146.3 -175.48 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.396 1.06 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 7.0 t80 -50.34 -36.69 33.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.99 -38.54 1.24 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.492 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -118.48 -19.53 8.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.761 . . . . 0.0 110.319 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -78.32 -48.03 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.56 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -70.21 -17.02 73.67 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -105.38 14.95 28.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 0.715 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -120.5 -40.54 2.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD11 ' O ' ' A' ' 35' ' ' ASN . 10.1 mt -50.33 -37.56 37.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.49 -34.05 48.52 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.577 1.173 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.15 -29.74 66.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.411 0.712 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' HD13 ' A' ' 62' ' ' LEU . 34.0 mttt -79.5 -32.48 42.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -62.25 -50.22 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 107.98 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -26.75 65.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.46 -0.14 57.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.708 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -78.93 2.0 21.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.986 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.12 159.2 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.449 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.04 -0.65 10.24 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.494 1.786 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.986 ' H ' HG23 ' A' ' 63' ' ' THR . 2.0 mm-40 -87.0 -24.77 24.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.1 mm-40 -101.98 -28.61 12.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -82.13 -28.28 32.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -46.71 -56.36 11.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.04 -49.54 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.464 1.771 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -51.56 -59.74 3.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 67' ' ' LYS . 7.4 tt0 -57.6 -37.43 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.38 -27.44 65.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.78 -35.94 51.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . . . -75.33 -18.1 60.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -74.29 -23.4 59.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.88 -44.21 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.89 -13.4 62.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.78 -29.54 64.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.072 . . . . 0.0 109.234 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.28 -41.81 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -30.36 69.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 35.2 t80 -69.28 -12.62 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -89.12 -20.03 24.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -52.58 42.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -70.03 -23.8 63.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -70.8 -26.69 63.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.52 -51.05 68.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.716 HD13 ' OD1' ' A' ' 19' ' ' ASN . 0.2 OUTLIER -68.3 -47.39 67.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.678 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.2 t80 -56.25 -44.58 79.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -75.08 -40.93 59.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.46 95.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 87' ' ' LEU . 14.5 t -84.58 -0.19 52.32 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -98.09 138.7 35.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.438 0.161 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 2' ' ' VAL . 9.6 p -166.37 71.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 11.9 t -172.54 135.78 0.8 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.2 Cg_endo -74.96 59.49 5.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.96 153.71 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -41.78 -55.56 5.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 18.5 Cg_endo -74.99 123.95 8.27 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.34 176.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -105.72 -170.27 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -82.04 -77.34 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -121.38 113.84 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.486 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 12' ' ' THR . 8.8 t -118.87 107.49 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -157.55 148.13 21.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.14 -55.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.75 159.87 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.607 1.192 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.65 158.89 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -100.55 153.71 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' ASN . 18.3 Cg_endo -74.97 -158.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' PRO . 26.2 m120 38.48 71.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -166.04 156.76 11.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -74.99 171.26 18.68 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -84.93 52.34 2.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 40.39 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.65 151.49 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.3 mp -116.41 168.42 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -88.87 152.86 21.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.45 -29.88 0.77 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -66.55 -41.5 88.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -64.56 -32.5 74.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -63.89 -51.09 66.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.28 -22.27 57.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.09 -51.28 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -42.47 -28.18 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 32' ' ' ALA . 40.2 tt0 -98.67 -36.35 9.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 110.253 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.86 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.1 m-80 -92.8 28.43 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.601 ' NH1' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -92.69 -12.1 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.9 -11.4 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 35' ' ' ASN . 71.6 mt -72.38 -35.03 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.68 -45.0 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.518 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -58.57 -32.35 68.86 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.4 t -65.52 -38.02 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.59 -9.61 51.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.818 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.09 62.93 9.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.08 -1.81 11.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.0 110.948 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -13.32 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.494 ' C ' HG23 ' A' ' 47' ' ' THR . 22.1 pt -114.04 -167.1 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 46' ' ' ILE . 27.8 p -156.69 -179.09 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CD1' ' NH1' ' A' ' 36' ' ' ARG . 1.7 t80 -40.78 -27.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -43.1 -45.35 6.17 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.417 1.073 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.82 -0.51 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -87.78 -49.24 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -73.37 -12.38 79.98 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.51 13.06 32.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 0.716 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -43.51 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.812 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.5 mt -46.51 -40.83 13.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.61 -33.42 26.11 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.76 -26.41 62.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttm -79.87 -36.48 36.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -60.41 -52.79 63.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 107.944 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -66.08 -27.86 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.36 7.28 45.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.36 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.704 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -85.56 8.19 20.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.965 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.63 158.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.704 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -74.98 0.28 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.965 ' H ' HG23 ' A' ' 63' ' ' THR . 1.6 mm-40 -88.36 -23.64 23.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.0 mm-40 -100.64 -29.03 12.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -31.57 31.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.8 mt-30 -43.69 -56.49 7.13 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.96 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -48.3 -55.15 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.14 . . . . 0.0 111.064 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -60.48 -36.58 78.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -57.63 -29.49 64.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -77.62 -36.78 51.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.582 1.176 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.19 -17.44 61.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -20.72 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.86 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.75 -22.7 64.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.5 -24.32 65.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.52 -46.55 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -37.14 61.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 21' ' ' PRO . 88.7 t80 -65.93 -13.5 59.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.1 -19.5 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -44.08 19.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -74.23 -34.81 63.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -65.4 -35.7 81.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -42.56 75.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.22 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.3 mp -69.97 -49.55 50.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.651 ' O ' HD23 ' A' ' 92' ' ' LEU . 2.8 t80 -56.83 -47.39 80.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 1.175 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.41 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 1.2 t30 -64.29 -38.92 92.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.621 1.2 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.11 -21.9 63.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.61 -24.08 56.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 88' ' ' TYR . 0.8 OUTLIER -123.73 115.69 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.456 0.17 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.98 132.2 19.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.9 m -115.69 88.6 20.74 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.38 24.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.792 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.81 167.14 30.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -154.62 130.03 5.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 179.32 6.18 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.512 1.796 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.94 91.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.15 110.45 15.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -130.49 165.21 23.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.6 m -148.81 108.6 4.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -59.89 123.71 17.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.399 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 176.41 119.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -108.95 64.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -92.71 147.25 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 141.79 30.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.56 157.43 5.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 109.357 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.92 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 111.046 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.8 p-10 -65.26 76.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.995 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -124.93 145.52 50.36 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.04 21.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -126.16 58.06 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER 52.53 40.13 29.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.678 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 39.41 49.23 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 24' ' ' ALA . 1.7 mt 55.43 167.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -101.96 148.6 25.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.048 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.61 -28.86 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.372 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -65.57 -45.3 83.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 111.007 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.6 tpp -64.37 -32.99 74.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -61.16 -46.29 91.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.444 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.67 -23.09 34.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.94 -41.06 26.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.3 m-80 -50.57 -23.07 2.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -103.91 -34.92 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.953 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.3 m-80 -93.79 27.48 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.38 -13.66 32.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.234 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.8 OUTLIER -113.93 -14.97 12.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 35' ' ' ASN . 48.1 mt -67.73 -36.59 76.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.81 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -84.44 -46.43 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 3.9 ptm180 -56.88 -33.11 66.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.5 t -63.69 -39.02 93.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.34 -6.46 56.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.81 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -148.06 62.52 6.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.01 -0.38 9.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.43 -12.56 37.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG12 ' CB ' ' A' ' 43' ' ' ASN . 15.5 pt -113.53 -175.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.395 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.7 p -148.91 -179.14 6.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.8 t80 -38.58 -33.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' PHE . . . -37.15 -49.04 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.98 -4.47 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.65 -47.04 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.47 -10.2 85.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.576 1.173 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -106.99 12.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.28 -42.73 2.34 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.214 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.727 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.1 mt -47.53 -40.23 18.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -52.94 -30.61 37.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.569 1.168 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -67.7 -33.82 75.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 62' ' ' LEU . 11.3 mttp -77.34 -32.4 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.444 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 75.4 t-105 -60.4 -49.71 76.49 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -28.2 67.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 2.66 56.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.69 ' O ' HG22 ' A' ' 63' ' ' THR . 2.3 tp -78.58 1.21 23.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.988 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.28 158.11 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.682 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.5 Cg_endo -75.06 1.3 7.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.988 ' H ' HG23 ' A' ' 63' ' ' THR . 0.6 OUTLIER -90.04 -22.84 21.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 2.9 mm-40 -103.98 -25.81 12.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -83.3 -37.86 22.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.7 mt-30 -40.05 -54.71 4.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.422 1.748 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.6 -60.36 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -57.74 -36.81 72.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.59 -32.03 62.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -75.46 -37.8 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.82 -17.9 63.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.15 -15.0 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.38 -45.77 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -18.96 9.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -48.73 -32.56 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -77.52 -52.66 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.411 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -33.92 60.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.678 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.5 t80 -60.33 -16.94 39.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -82.2 -19.23 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -65.21 -52.72 52.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -20.23 61.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -75.46 -26.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 1.7 tt0 -68.43 -32.87 73.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -77.24 -44.68 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.995 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 6.5 t80 -54.07 -51.52 63.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.446 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -64.88 -29.98 70.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -65.82 -17.59 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 88' ' ' TYR . 15.0 t -121.42 31.76 6.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.475 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.39 -60.47 1.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.523 0.201 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 1' ' ' MET . 5.7 t -152.27 96.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.2 122.32 1.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.461 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -153.01 171.49 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.95 95.84 0.54 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.96 -165.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 110.975 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 mttp 179.21 157.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.01 126.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.82 151.13 37.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -159.09 167.81 28.25 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.6 t -126.68 121.75 32.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -91.23 168.67 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.28 -168.61 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.72 108.66 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.81 94.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -131.88 143.02 47.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -74.95 -159.88 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.552 1.817 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -66.4 77.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.073 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -126.96 150.32 71.56 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.394 1.059 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.02 114.55 4.05 Favored 'Trans proline' 0 C--N 1.362 1.237 0 O-C-N 124.462 1.769 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -70.15 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.53 112.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB1' ' OD1' ' A' ' 77' ' ' ASP . . . -75.39 57.76 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' O ' ' A' ' 24' ' ' ALA . 1.6 mt 54.47 169.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -120.79 148.58 43.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -39.49 -31.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.5 t80 -63.39 -50.6 69.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' SER . 2.0 mpp? -62.34 -36.33 81.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 111.066 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.601 ' CE2' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.68 -37.99 22.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' N ' ' CD1' ' A' ' 31' ' ' PHE . . . -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 29' ' ' MET . 2.9 m-80 -69.72 -7.86 42.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -102.73 -33.58 9.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -106.52 13.91 27.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -75.6 -7.53 54.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.536 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.7 OUTLIER -115.47 -10.77 11.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 35' ' ' ASN . 90.4 mt -76.73 -34.69 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -86.9 -43.76 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.1 ptm180 -60.48 -28.74 68.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.13 80.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.25 -14.57 25.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.802 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -140.52 61.22 15.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.9 0.21 9.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.18 -11.94 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.539 HD12 HG23 ' A' ' 51' ' ' VAL . 19.6 pt -115.43 -171.08 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.608 1.193 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.5 p -149.8 -176.45 5.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.459 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.466 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -42.46 -26.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.54 -41.53 4.22 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.39 5.68 4.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.539 HG23 HD12 ' A' ' 46' ' ' ILE . 3.0 t -101.39 -37.52 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -84.14 -2.55 89.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 2.72 22.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -116.98 -35.66 4.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 39' ' ' VAL . 11.4 mt -56.27 -31.57 63.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.8 -36.19 91.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.91 -30.32 71.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.1 mttt -79.23 -31.93 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -62.41 -48.87 77.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 4.3 ptpt -67.49 -28.55 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -95.84 8.45 43.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.707 ' O ' HG22 ' A' ' 63' ' ' THR . 1.5 tp -81.81 4.48 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 1.003 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 53.75 159.4 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.714 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.05 -1.42 11.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 1.003 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.84 -24.22 25.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.735 ' HG2' HG22 ' A' ' 63' ' ' THR . 15.4 mm-40 -102.05 -29.81 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -83.29 -23.85 32.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.476 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.3 mt-30 -51.7 -56.02 24.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.28 -61.11 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -55.83 -37.28 68.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.06 -32.28 46.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -76.7 -37.93 55.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -19.41 60.94 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -17.07 59.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.47 18.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' HB1' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -60.81 -16.01 36.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -29.82 68.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -80.15 -34.46 37.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -70.24 -38.85 75.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.609 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -61.54 -12.49 15.6 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.83 -19.27 45.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 t -58.21 -49.38 77.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.614 1.196 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -69.8 -25.62 63.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -27.13 66.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -45.2 91.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.91 -48.95 67.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.073 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 7.4 t80 -52.39 -46.27 66.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.0 t30 -74.41 -31.84 62.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.41 77.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 88' ' ' TYR . 4.7 t -83.14 2.47 35.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 89' ' ' ASN . 14.2 mt -95.13 99.9 11.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.3 mmm . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.525 0.202 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.522 HG22 ' H ' ' A' ' 3' ' ' THR . 7.7 p -165.59 170.99 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.522 ' H ' HG22 ' A' ' 2' ' ' VAL . 52.4 m -158.44 115.57 1.74 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.18 4.74 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.34 179.54 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 2.6 pt-20 -178.21 106.72 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.55 5.1 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.415 1.745 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.37 152.6 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.09 168.25 27.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.5 ptt85 -178.53 167.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 t -166.72 161.64 15.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.2 t -125.69 171.44 10.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.15 127.9 17.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -178.5 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 10.4 pttm -126.25 122.25 35.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 1.2 mmtt 170.29 152.48 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER 175.0 160.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -74.99 -159.91 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.534 1.807 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.1 p-10 -66.97 77.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.052 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -140.38 149.57 58.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 147.63 34.38 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -86.02 50.51 1.99 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER 46.96 42.72 12.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.766 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 44.35 -167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 2.4 mp -114.34 166.35 11.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.363 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -95.85 153.67 17.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . . . -43.0 -28.19 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' SER . 5.1 t80 -66.9 -49.7 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -59.36 -29.97 68.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 6.7 m-85 -66.92 -44.1 81.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -19.31 46.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -86.77 -46.19 10.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.429 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -45.86 -26.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 tt0 -99.22 -35.42 9.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.716 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -93.34 26.13 3.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' NE ' ' CE1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -88.72 -12.05 43.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -115.59 -12.66 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 35' ' ' ASN . 72.6 mt -70.68 -34.78 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.798 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -84.54 -48.13 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -57.64 -32.8 67.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.417 1.073 . . . . 0.0 110.34 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.5 t -66.63 -28.64 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -98.68 -10.43 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.798 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.6 61.24 7.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.09 . . . . 0.0 109.295 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.07 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.41 -12.59 34.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.615 ' CD1' HG23 ' A' ' 51' ' ' VAL . 33.4 pt -112.37 -169.61 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.8 p -140.19 -176.86 4.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 110.422 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.589 ' CE1' ' NE ' ' A' ' 36' ' ' ARG . 2.3 t80 -56.47 -27.0 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.25 -29.45 22.28 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HG2' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.42 2.3 5.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 110.293 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.615 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.1 t -107.14 -40.16 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.575 ' CA ' ' CE1' ' A' ' 48' ' ' PHE . . . -70.94 -26.31 74.19 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -97.08 11.9 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -113.76 -21.88 10.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.716 HD11 ' O ' ' A' ' 35' ' ' ASN . 17.4 mt -77.2 -19.96 56.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.07 -40.22 62.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -65.57 -28.12 68.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' LEU . 26.2 mtpp -79.12 -32.9 44.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 63.1 t-105 -62.24 -52.05 65.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.58 3.76 55.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.717 ' O ' HG22 ' A' ' 63' ' ' THR . 1.3 tp -81.79 5.19 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.5 t 54.43 159.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.361 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.723 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.02 -1.6 11.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.531 1.806 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 5.0 mm-40 -85.85 -25.46 26.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.718 ' HG2' HG22 ' A' ' 63' ' ' THR . 24.5 mm-40 -97.61 -29.38 13.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.04 -27.98 32.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.0 mt-30 -46.97 -56.48 11.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.0 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.809 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.26 -58.83 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 27' ' ' ALA . 7.3 tt0 -59.0 -36.23 74.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -59.56 -27.51 66.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -76.0 -40.97 52.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -64.32 -16.37 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -11.93 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.94 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 80' ' ' ARG . 61.5 t0 -53.8 -20.08 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -44.8 -31.56 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.52 -39.75 18.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 77' ' ' ASP . 4.8 mmm-85 -63.07 -33.31 75.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.766 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 6.7 t80 -76.55 -7.43 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -34.66 15.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 110.247 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 t -50.3 -43.88 53.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -77.29 -21.52 53.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.238 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -31.54 63.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 20.0 mt-10 -62.41 -33.39 74.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.241 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -78.44 -44.89 23.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.052 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 7.3 t80 -56.5 -51.04 69.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.467 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -62.13 -31.6 72.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.2 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -63.41 -15.47 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -83.49 1.62 40.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.383 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.2 mt -114.18 -59.13 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HB3' HG22 ' A' ' 3' ' ' THR . 8.5 mtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.527 0.203 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.2 p -73.79 -42.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.572 HG22 ' HB3' ' A' ' 1' ' ' MET . 0.1 OUTLIER -49.84 109.83 1.41 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 110.443 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -67.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.08 167.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -95.03 129.28 36.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -43.95 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.0 140.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.39 175.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -127.01 -52.85 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m 62.43 156.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 110.369 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -139.96 157.25 45.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 165.66 25.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.79 176.34 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -158.15 125.79 5.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.6 -55.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.01 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.4 p-10 -67.14 77.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.699 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -120.46 141.25 31.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -75.13 142.35 27.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -81.78 61.76 5.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 47.74 43.72 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . 43.74 92.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 1.5 mp -43.97 165.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.369 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 154.83 18.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.968 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.68 -28.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -68.61 -45.51 71.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.452 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -63.54 -27.86 69.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.79 -50.65 55.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.429 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -75.54 -26.98 58.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.185 . . . . 0.0 110.956 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -75.17 -53.91 8.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.8 m-80 -46.01 -26.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.0 tp10 -99.46 -32.95 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.232 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.707 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.2 m-80 -94.96 24.82 4.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.4 tpp85 -92.23 -8.39 45.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.509 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 13.3 m-20 -111.63 -17.55 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.707 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -69.88 -37.81 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.251 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.838 HG11 ' HD3' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -83.27 -45.96 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 2.1 ptm180 -55.79 -31.65 62.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.1 t -68.83 -26.38 65.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.8 -12.77 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.813 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -144.81 62.98 9.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.96 -8.75 20.4 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.566 1.824 . . . . 0.0 111.002 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -11.59 58.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 ' HB ' ' CG ' ' A' ' 50' ' ' GLN . 31.9 pt -115.92 -175.07 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 49' ' ' GLY . 30.8 p -147.32 -176.78 5.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 0.0 110.401 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -42.04 -26.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -51.2 -27.15 14.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.45 1.094 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -146.53 18.34 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 47.7 t -114.8 -42.54 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.39 2.32 84.88 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.55 1.156 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 3.95 15.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 0.78 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.838 ' HD3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.68 -33.75 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD21 ' CG2' ' A' ' 39' ' ' VAL . 12.0 mt -51.56 -27.21 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.17 -30.3 77.07 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.118 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -70.82 -32.06 69.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -77.54 -34.45 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.409 ' CE3' ' CD1' ' A' ' 31' ' ' PHE . 73.6 t-105 -60.62 -46.74 89.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 107.951 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -67.41 -29.27 68.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 0.22 56.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.5 tp -75.62 -4.87 42.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.883 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 53.09 171.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 -29.16 8.52 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.883 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mt-10 -57.04 -38.72 73.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 63' ' ' THR . 1.9 mm-40 -94.69 -26.95 16.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -83.43 -5.06 59.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.625 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 0.7 OUTLIER -71.88 -57.13 4.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.7 Cg_endo -74.91 -39.15 1.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -58.28 -68.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -54.62 -33.92 61.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -56.18 -35.75 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -74.29 -35.19 63.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.28 -15.86 61.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -19.27 58.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -81.55 -43.68 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -63.15 -13.42 36.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -64.59 -11.89 39.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.415 ' C ' ' N ' ' A' ' 81' ' ' TYR . 1.6 ttpt -117.22 -56.56 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.167 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -43.14 -26.32 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 1.2 t80 -57.5 -15.45 7.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.097 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -86.87 -36.78 18.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -57.72 -44.59 86.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.21 -29.31 60.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -68.7 -32.84 72.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.28 -47.01 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 91' ' ' THR . 0.2 OUTLIER -68.86 -44.77 72.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.699 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.3 t80 -51.06 -49.47 60.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.456 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -74.15 -29.95 62.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.61 -25.81 63.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 87' ' ' LEU . 69.3 p -92.01 -20.5 21.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -61.23 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.246 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.527 0.203 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 2' ' ' VAL . 0.5 OUTLIER -176.84 117.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 39.9 p -92.23 152.52 42.58 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.345 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.1 Cg_endo -75.03 -168.07 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 167.88 142.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.618 1.199 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -170.17 115.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.229 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.46 2.38 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.14 -174.42 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.17 170.0 2.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.85 -176.69 6.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -158.32 174.42 15.18 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 13' ' ' ARG . 1.2 m -150.97 163.96 37.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.379 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' N ' ' CG2' ' A' ' 12' ' ' THR . 1.2 ttp180 -142.62 169.72 17.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.14 -178.0 6.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -143.44 -57.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.81 174.92 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.34 162.38 19.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -159.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.445 1.761 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 6.0 p30 -69.29 76.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.566 ' HB1' ' CE2' ' A' ' 88' ' ' TYR . . . -120.13 129.05 25.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.89 159.99 41.03 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.453 1.765 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -132.5 36.64 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.2 OUTLIER -88.8 -171.43 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.352 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.691 ' CB ' ' CD2' ' A' ' 81' ' ' TYR . . . 68.68 88.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.18 172.74 6.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -77.3 145.53 37.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.928 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . . . -42.52 -33.57 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -68.6 -44.67 73.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -58.52 -30.81 67.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 74' ' ' ALA . 4.5 m-85 -67.79 -53.41 27.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -20.22 57.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -81.63 -51.05 8.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.1 -27.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' N ' ' C ' ' A' ' 32' ' ' ALA . 7.0 mm-40 -98.33 -33.38 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.837 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -92.38 23.12 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.0 OUTLIER -106.86 14.68 26.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 41' ' ' SER . 27.0 m-20 -120.31 -36.56 3.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 1.192 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.13 -43.67 89.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.839 HG12 HD21 ' A' ' 43' ' ' ASN . 0.4 OUTLIER -87.41 -42.16 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 61.4 ttt85 -62.41 -25.37 67.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.426 1.078 . . . . 0.0 110.231 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 37' ' ' ASP . 28.5 t -76.54 -32.43 58.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 110.018 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -90.98 -6.62 53.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.172 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.839 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -146.81 62.08 7.25 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.02 -4.55 15.56 Favored 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.427 1.751 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.12 -13.98 45.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.508 HD12 ' CG ' ' A' ' 50' ' ' GLN . 31.8 pt -110.6 -168.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.484 HG23 ' C ' ' A' ' 46' ' ' ILE . 22.4 p -156.34 -176.56 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.383 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -38.92 -29.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -45.46 -44.32 11.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.81 0.5 7.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 0.792 . . . . 0.0 110.328 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -92.65 -42.85 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.19 -17.75 68.62 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.84 -0.76 57.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 0.805 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -111.26 -35.33 5.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.837 HD11 ' O ' ' A' ' 35' ' ' ASN . 9.7 mt -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.21 -30.33 54.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.11 -26.6 61.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.522 ' O ' HD13 ' A' ' 62' ' ' LEU . 12.7 mttm -81.37 -34.85 31.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.47 ' CH2' ' HB2' ' A' ' 67' ' ' LYS . 59.8 t-105 -61.49 -51.84 66.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -66.6 -28.45 68.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.34 -0.95 57.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.725 ' O ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -82.25 4.6 22.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 1.019 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 54.1 159.15 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 0.36 9.0 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 1.019 ' H ' HG23 ' A' ' 63' ' ' THR . 1.9 mm-40 -86.86 -27.37 23.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.3 mm-40 -96.49 -30.69 13.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -82.02 -26.72 33.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -47.49 -56.81 11.41 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.2 Cg_endo -75.02 -49.71 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.41 1.742 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -47.68 -56.17 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 27' ' ' ALA . 46.3 tt0 -63.27 -34.62 78.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.3 67.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -77.81 -37.47 48.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . . . -70.37 -15.31 62.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -16.41 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.69 -46.99 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.143 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -22.52 10.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -71.26 -6.53 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -109.21 -39.77 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -13.86 61.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.691 ' CD2' ' CB ' ' A' ' 24' ' ' ALA . 4.0 t80 -82.29 -17.02 47.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -80.39 -18.47 48.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -69.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' CB ' ' HG3' ' A' ' 21' ' ' PRO . 69.9 mm-40 -61.97 -31.54 71.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.214 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -28.75 70.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.213 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.02 -50.09 75.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -47.02 86.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CE2' ' HB1' ' A' ' 20' ' ' ALA . 1.8 t80 -58.06 -57.05 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -54.08 -29.91 46.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.07 59.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -83.9 1.03 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.49 99.6 12.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.478 0.18 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.79 124.79 44.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -103.45 142.14 23.96 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.05 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.69 155.04 39.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -128.32 124.93 23.15 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -172.31 164.69 5.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.61 175.59 6.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.22 175.44 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.9 m -156.96 141.37 16.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.0 m -130.62 161.11 32.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -178.77 154.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -176.34 159.21 1.97 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.8 -172.24 2.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 177.96 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.51 150.33 65.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.01 -159.89 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.539 1.81 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.4 p-10 -65.82 76.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.879 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.77 152.36 80.39 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -75.09 132.66 15.55 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.48 1.779 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.23 -83.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.1 101.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.761 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -69.05 102.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.73 168.49 15.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 109.228 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.2 OUTLIER -82.93 149.93 26.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -42.65 -30.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' N ' ' C ' ' A' ' 26' ' ' SER . 14.2 t80 -67.82 -46.12 72.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.1 mpp? -57.0 -33.51 67.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.416 1.072 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -65.24 -57.79 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.433 ' CE1' ' OD1' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -66.83 -24.21 66.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -81.56 -51.14 8.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.2 m-80 -43.49 -28.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 32' ' ' ALA . 2.3 mm-40 -98.87 -36.18 9.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.917 ' O ' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -92.64 28.3 2.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.218 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -95.86 -13.28 24.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.519 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.2 m-20 -116.0 -10.48 11.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 35' ' ' ASN . 72.0 mt -74.54 -34.27 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -85.52 -43.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -58.18 -31.96 67.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -64.24 -38.78 92.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.62 -9.03 53.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.818 HD21 HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -145.62 62.72 8.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.98 -0.76 10.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -12.16 40.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG23 ' A' ' 51' ' ' VAL . 13.9 pt -114.73 -174.6 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 49' ' ' GLY . 22.6 p -148.49 -177.15 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -42.42 -27.14 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 47' ' ' THR . . . -47.14 -40.28 13.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -128.88 3.71 5.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 0.782 . . . . 0.0 110.378 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 46' ' ' ILE . 2.3 t -95.05 -46.51 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.07 80.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -103.96 14.06 31.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -41.21 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.568 1.168 . . . . 0.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.917 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.4 mt -50.68 -37.99 44.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.73 -29.29 12.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.41 -30.53 64.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 62' ' ' LEU . 22.9 mttt -78.9 -35.87 42.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -59.23 -52.36 66.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -29.03 69.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.68 -7.24 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' LEU . 2.9 tp -73.78 -4.54 35.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.919 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.35 171.45 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.424 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.94 -29.0 8.79 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.454 1.765 . . . . 0.0 111.014 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.919 ' H ' HG23 ' A' ' 63' ' ' THR . 1.7 mt-10 -57.92 -36.94 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 63' ' ' THR . 10.0 mm-40 -96.4 -27.78 14.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -4.35 58.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -71.95 -57.32 4.04 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.04 -39.37 1.21 Allowed 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -57.32 -66.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.36 -38.44 66.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -54.73 -31.95 59.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -76.66 -35.7 57.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -73.95 -17.13 61.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -21.28 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.72 -45.63 20.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -20.93 66.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.53 -23.56 60.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -38.94 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.08 -45.83 79.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.761 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 69.0 t80 -58.52 -16.54 15.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.63 -19.5 23.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 p -83.01 -45.04 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.073 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.56 -36.36 73.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -37.48 80.72 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 3.1 tt0 -56.81 -43.11 80.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.3 -47.29 43.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.879 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 2.3 t80 -58.58 -44.05 89.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -74.93 -32.69 61.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.177 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -69.34 -37.6 77.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 88' ' ' TYR . 3.7 t -81.0 -6.27 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 88' ' ' TYR . 1.1 mp -79.2 99.57 7.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.525 0.202 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.42 178.86 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 m -152.95 135.6 9.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.365 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -173.32 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.16 -177.52 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -149.92 122.81 4.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -169.52 0.64 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.02 176.68 11.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.11 -179.34 7.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.67 177.86 10.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 t -143.03 142.67 31.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -111.18 131.18 55.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.424 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -104.68 152.04 22.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -123.07 171.0 9.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -167.29 168.72 13.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -172.54 179.44 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -115.36 161.98 27.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -159.77 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.0 p-10 -68.74 76.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -141.57 142.55 26.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.158 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 23' ' ' ARG . 18.4 Cg_endo -74.98 107.73 2.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.633 ' HE2' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.8 88.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER 43.84 48.48 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.58 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . . . 42.24 36.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 HD21 ' HE2' ' A' ' 22' ' ' LYS . 30.6 mt 53.42 172.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -135.12 149.53 50.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . . . -46.93 -30.15 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.51 -37.23 79.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.564 ' SD ' HD23 ' A' ' 25' ' ' LEU . 3.2 ttm -77.33 -19.52 56.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.443 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 4.6 m-85 -72.27 -47.65 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -83.64 -20.67 33.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -78.13 -45.37 23.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.226 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -43.12 -28.65 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.376 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.1 mt-10 -99.58 -34.93 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.818 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.9 m-80 -91.64 26.22 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -91.99 -17.62 24.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -114.17 -13.89 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 35' ' ' ASN . 95.1 mt -67.02 -35.15 73.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.834 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -83.82 -43.31 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.1 -37.1 71.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t -63.87 -30.76 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.13 -5.46 40.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.834 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -152.68 61.48 3.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.1 Cg_endo -75.05 -0.26 9.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.476 1.777 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -90.4 -17.47 27.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.607 HD12 HG23 ' A' ' 51' ' ' VAL . 39.3 pt -106.24 -169.01 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.1 p -144.05 -176.06 4.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.466 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 18.3 t80 -55.11 -29.48 57.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.33 -29.29 16.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -131.05 4.82 4.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.457 0.74 . . . . 0.0 110.348 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.607 HG23 HD12 ' A' ' 46' ' ' ILE . 2.9 t -109.55 -39.52 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -81.79 -15.09 76.32 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -105.94 13.89 28.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -116.5 -37.42 3.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.093 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.6 mt -50.74 -27.75 7.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.71 -26.37 53.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.98 -29.85 44.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LEU . 9.2 mttm -78.61 -37.7 41.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.542 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . 47.6 t-105 -58.56 -55.27 37.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 107.951 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -62.58 -28.38 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -93.3 7.65 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 ' O ' HG22 ' A' ' 63' ' ' THR . 3.0 tp -85.23 8.14 19.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 1.0 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.6 t 53.68 157.95 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.679 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.97 1.4 7.76 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.574 1.828 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 1.0 ' H ' HG23 ' A' ' 63' ' ' THR . 1.4 mm-40 -89.72 -23.96 21.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.705 ' HG2' HG22 ' A' ' 63' ' ' THR . 4.2 mm-40 -99.34 -28.91 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.233 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HB2' ' CH2' ' A' ' 59' ' ' TRP . 1.1 ttpp -82.72 -33.1 27.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.464 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.7 mt-30 -43.65 -55.47 8.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.479 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.4 Cg_endo -75.04 -53.02 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.622 1.853 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -46.6 -55.28 7.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.051 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 21.7 tt0 -62.68 -34.92 78.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -60.72 -28.98 69.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.29 -39.86 59.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -66.16 -16.95 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.354 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -14.57 60.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.23 10.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -20.87 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -24.35 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -87.98 -50.27 6.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -51.59 -37.11 48.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.58 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 5.7 t80 -61.64 -12.52 16.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -88.28 -19.0 27.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.3 m -87.1 -44.34 11.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -67.12 -33.37 75.3 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -58.44 -30.45 66.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -62.49 -52.45 63.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.59 -46.73 89.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.62 ' O ' HG22 ' A' ' 91' ' ' THR . 7.0 t80 -59.81 -56.64 19.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -56.39 -31.88 64.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.24 -16.41 63.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -85.75 -16.07 40.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 110.423 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.824 HD12 ' O ' ' A' ' 92' ' ' LEU . 2.7 pp -145.58 69.0 1.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.517 0.199 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 p -171.38 119.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.349 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.6 p -126.52 158.51 67.23 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.423 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 18.5 Cg_endo -74.98 56.44 4.24 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 4' ' ' PRO . 2.4 mtm180 164.11 97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 55.99 164.71 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.52 -65.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -59.59 -68.39 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 65.33 20.57 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.5 m -79.68 -62.8 1.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.453 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.9 t -96.29 126.38 41.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.439 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.49 144.06 8.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.93 163.72 13.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -150.98 155.56 39.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 121.5 5.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -133.72 143.21 46.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.2 Cg_endo -75.02 -159.32 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.566 1.824 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.4 p-10 -65.85 76.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -112.78 169.0 6.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.639 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.07 158.07 42.13 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.504 1.791 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -81.33 124.1 29.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.17 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' A' ' 81' ' ' TYR . . . -62.53 89.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mp -45.44 161.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.9 155.36 21.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.65 -30.64 9.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 9.0 t80 -65.53 -32.36 73.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.584 1.177 . . . . 0.0 111.067 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mmt -71.09 -34.42 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 9.3 m-85 -62.77 -52.83 61.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.59 1.181 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.616 ' CD1' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -74.58 -18.53 60.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' TYR . . . -80.29 -42.65 22.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.88 -19.2 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.66 -33.52 8.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.687 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.1 m-80 -91.62 20.8 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -2.91 49.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -110.66 -19.51 12.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 35' ' ' ASN . 1.5 mp -70.36 -37.81 72.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' O ' ' ND2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -81.86 -54.87 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -49.22 -31.41 8.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.252 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.2 t -73.33 -36.91 66.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -87.28 -10.87 51.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 46' ' ' ILE . 8.4 p30 -152.13 68.56 7.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 1.41 7.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.69 -21.81 30.03 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 43' ' ' ASN . 43.2 pt -102.45 -177.65 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 49' ' ' GLY . 12.5 p -148.73 174.27 12.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' THR . 19.4 t80 -37.92 -31.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -41.16 -41.83 2.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.425 HE21 ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -124.95 -20.37 4.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 46' ' ' ILE . 3.8 t -67.65 -37.75 79.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.6 -17.88 72.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -105.13 16.2 26.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 0.723 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.03 -41.68 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.687 HD21 ' O ' ' A' ' 35' ' ' ASN . 5.5 mt -42.82 -38.04 2.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.06 -27.79 2.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.78 -39.22 61.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 0.753 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 62' ' ' LEU . 6.3 mmtt -71.62 -31.58 67.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.874 ' CE3' HD22 ' A' ' 62' ' ' LEU . 57.9 t-105 -62.75 -62.06 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.967 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -53.41 -24.4 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.64 -24.79 23.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.874 HD22 ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -65.55 -11.3 42.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 54.48 174.18 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.457 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.703 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.3 Cg_endo -75.01 -12.31 21.5 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.37 -44.78 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 10.7 mm-40 -87.51 -25.38 23.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -82.46 -25.76 33.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -47.94 -56.79 12.15 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.592 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.0 -48.28 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -49.56 -59.04 4.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.8 -34.53 69.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -53.66 -36.26 61.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -74.57 -36.8 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . . . -74.56 -14.76 60.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -21.27 56.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.59 -46.2 17.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -19.85 65.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -66.13 -28.85 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -81.81 -40.6 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -44.63 93.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.763 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 8.5 t80 -66.88 -7.87 24.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -96.88 -33.97 11.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -51.77 68.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.28 -24.8 64.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.405 ' CA ' ' HG3' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -66.97 -26.76 66.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -50.25 74.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -46.48 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.177 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.782 ' O ' HG22 ' A' ' 91' ' ' THR . 3.9 t80 -55.04 -47.56 74.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.718 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.9 t30 -73.01 -22.41 60.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.1 -22.72 55.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 88' ' ' TYR . 1.9 t -89.13 -5.69 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 89' ' ' ASN . 20.1 mt -90.62 173.9 7.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 92' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.3 m -98.13 -167.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.46 99.91 2.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 160.75 39.86 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 ptt85 -153.36 -175.56 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.07 104.17 0.21 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.142 . . . . 0.0 110.247 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -164.66 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -155.27 -176.5 5.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.86 -173.55 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 174.87 174.98 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.0 t -141.3 158.82 43.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -133.39 173.28 11.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.503 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -152.09 174.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.64 149.53 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -162.66 155.63 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 -179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.49 159.83 35.36 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.5 Cg_endo -74.9 -159.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.789 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.8 p-10 -65.74 76.8 0.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.376 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.959 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -136.38 153.96 76.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 143.32 29.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.426 1.75 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -70.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 172.94 86.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.8 116.24 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.62 159.76 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.62 152.78 27.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . . . -49.52 -30.67 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.16 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -66.52 -31.39 72.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.26 -44.81 74.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -58.79 -43.56 90.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -77.02 -23.93 52.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -82.43 -57.33 3.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.209 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.42 -26.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.2 mm-40 -92.1 -42.75 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.929 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.4 m-80 -92.58 26.88 2.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.8 OUTLIER -91.04 -4.73 56.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -113.35 -24.39 9.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.929 HD12 ' HA ' ' A' ' 35' ' ' ASN . 22.5 mt -61.04 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -88.2 -46.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -27.05 41.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.5 t -69.93 -18.85 63.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -111.08 -16.09 13.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.552 ' N ' ' HD3' ' A' ' 44' ' ' PRO . 16.2 p30 -138.92 57.45 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.01 -9.7 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.52 -9.59 59.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 2.2 pp -130.08 175.16 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' GLY . 40.2 p -130.26 -172.81 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.559 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 5.7 t80 -39.84 -27.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -46.36 -32.07 5.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.653 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -136.43 9.62 3.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -102.9 -45.1 10.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -64.02 -24.71 68.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -0.09 52.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 0.718 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE2' ' CG1' ' A' ' 39' ' ' VAL . 3.6 tttt -111.88 -25.1 9.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 55' ' ' LEU . 13.9 mt -78.99 -27.38 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.44 -44.1 85.07 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.494 1.122 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -61.86 -27.64 68.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 0.735 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' LEU . 2.6 mmtt -81.62 -33.09 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.528 ' CE2' ' HD2' ' A' ' 67' ' ' LYS . 65.5 t-105 -62.07 -49.43 76.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.67 -30.17 69.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.0 4.25 52.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.703 ' O ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -77.84 1.15 21.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.98 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.4 t 54.12 157.65 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.426 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.673 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.2 Cg_endo -74.98 0.33 9.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.42 1.747 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.98 ' H ' HG23 ' A' ' 63' ' ' THR . 0.4 OUTLIER -89.5 -22.16 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.696 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.0 mm-40 -103.84 -31.01 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.528 ' HD2' ' CE2' ' A' ' 59' ' ' TRP . 24.0 mtmt -80.54 -33.35 36.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.4 mt-30 -39.9 -56.99 2.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.02 -50.6 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.06 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -50.47 -61.06 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' LYS . 35.4 tt0 -53.35 -39.67 64.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -55.47 -30.18 60.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -76.36 -35.88 58.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.647 ' HB2' ' HA ' ' A' ' 27' ' ' ALA . . . -74.89 -18.72 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -20.8 57.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.53 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -18.98 61.79 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -74.66 -25.63 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -35.32 19.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -46.64 87.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 76.5 t80 -56.01 -17.97 8.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.78 -19.57 25.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.8 -46.4 17.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -70.51 -34.43 72.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -61.09 -36.12 78.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -60.32 -49.13 78.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.06 -46.71 67.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.959 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 2.8 t80 -56.43 -46.41 80.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.674 ' HA ' HD12 ' A' ' 92' ' ' LEU . 3.4 t30 -74.64 -20.23 59.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 109.337 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -75.89 -20.67 57.87 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.239 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 88' ' ' TYR . 13.4 t -98.99 16.71 21.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.615 1.197 . . . . 0.0 110.43 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -94.35 -60.44 1.72 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.975 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.563 0.221 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.9 m -116.62 156.67 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 3' ' ' THR . 3.3 t -171.5 66.65 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 155.86 42.98 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.49 144.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.31 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.53 92.36 0.2 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 177.33 8.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.51 1.795 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -170.31 154.01 4.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.91 156.06 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 175.89 143.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.62 HG21 HH21 ' A' ' 13' ' ' ARG . 3.2 m -162.35 122.16 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -142.31 129.12 20.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.62 HH21 HG21 ' A' ' 11' ' ' THR . 3.2 ptp180 -161.29 139.67 9.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mttm 175.94 174.77 0.3 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.92 155.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.87 163.06 34.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 173.27 142.17 0.16 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.432 1.754 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.1 p-10 -68.78 77.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.921 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -130.67 148.16 68.98 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 18.4 Cg_endo -74.93 116.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 50.53 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 mtt-85 62.81 117.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' CB ' ' HB2' ' A' ' 81' ' ' TYR . . . -79.37 55.12 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 25' ' ' LEU . 6.5 mp 54.68 170.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.4 OUTLIER -120.47 155.71 32.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -42.32 -28.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' N ' ' C ' ' A' ' 26' ' ' SER . 6.1 t80 -65.55 -45.54 82.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.8 tpp -64.86 -32.01 73.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -62.24 -45.21 94.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -81.52 -24.68 36.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -79.33 -49.8 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -41.28 -29.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -100.74 -32.63 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.31 179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.937 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.2 m-80 -95.12 29.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -96.89 -13.31 22.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.345 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.7 m-20 -117.39 -7.4 11.16 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.931 HD12 ' HA ' ' A' ' 35' ' ' ASN . 59.0 mt -76.63 -34.02 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG12 HD21 ' A' ' 43' ' ' ASN . 0.6 OUTLIER -84.91 -45.09 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.234 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 8.5 ptm180 -56.04 -30.21 61.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -40.29 92.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.0 -5.44 58.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.818 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -148.87 61.62 5.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.382 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.93 -1.61 11.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.778 . . . . 0.0 111.053 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -89.27 -15.47 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 43' ' ' ASN . 35.1 pt -109.08 -169.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.9 p -146.18 -175.56 4.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 19.7 t80 -52.94 -33.64 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -42.72 -37.52 2.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.474 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.68 -21.09 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.7 t -77.37 -47.39 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -72.03 -16.45 76.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 16.14 26.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -125.31 -43.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.937 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.9 mt -44.28 -41.12 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.02 -33.95 22.6 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.472 1.107 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.68 -31.51 71.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 6.7 mmtt -79.13 -40.72 30.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' A' ' 31' ' ' PHE . 73.1 t-105 -53.98 -43.15 69.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.87 57.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -91.51 4.47 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.668 ' O ' HG22 ' A' ' 63' ' ' THR . 1.6 mp -80.38 3.79 20.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.981 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.21 156.81 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.645 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.04 0.49 8.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.992 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.981 ' H ' HG23 ' A' ' 63' ' ' THR . 1.8 mm-40 -87.95 -26.78 22.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -104.15 -27.87 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -33.55 32.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.482 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 2.1 mt-30 -40.6 -56.08 3.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -50.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.413 1.744 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -57.4 4.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -61.15 -36.4 79.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 69' ' ' PRO . . . -54.59 -29.98 53.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -43.05 30.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -68.46 -21.3 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.55 -16.72 60.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.44 20.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -16.12 37.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 ttpp -63.55 -22.43 66.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -87.31 -37.84 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 4.5 ttm105 -71.4 -30.59 66.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' PRO . 2.8 t80 -69.25 -9.18 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.22 -20.24 32.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 110.25 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.59 -51.92 65.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.976 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.47 -22.75 61.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 110.396 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -72.02 -28.6 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 24.7 tt0 -60.61 -46.68 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -67.6 -47.94 68.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.921 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 3.7 t80 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -70.1 -23.46 63.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -82.77 -29.11 29.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -86.95 3.37 46.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.35 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.69 -63.3 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.969 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 mtt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.572 0.225 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' C ' HG23 ' A' ' 3' ' ' THR . 10.8 m -123.99 165.0 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.46 HG23 ' C ' ' A' ' 2' ' ' VAL . 52.5 p -153.6 88.0 3.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.56 35.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.47 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -176.39 160.51 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER 174.71 101.21 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.42 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.56 158.04 25.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.27 156.53 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.9 ttt85 179.72 156.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -173.48 172.15 3.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.132 . . . . 0.0 110.412 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 HG22 ' N ' ' A' ' 13' ' ' ARG . 4.2 m -138.58 169.45 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' HG22 ' A' ' 12' ' ' THR . 1.3 tpm_? -163.46 113.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -115.01 152.41 32.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.45 -175.63 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CG ' ' N ' ' A' ' 17' ' ' ASP . 26.4 pttt -108.27 -50.02 3.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 4.7 m-20 64.54 150.58 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -159.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -68.22 77.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.967 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -130.22 153.49 81.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 136.42 20.29 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.498 1.788 . . . . 0.0 111.052 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -75.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.23 97.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -41.86 101.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.809 HD22 ' HG2' ' A' ' 29' ' ' MET . 80.5 mt -52.52 168.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -98.91 150.21 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.16 -29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' SER . 4.3 t80 -65.32 -49.64 68.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.809 ' HG2' HD22 ' A' ' 25' ' ' LEU . 2.5 mpp? -56.23 -36.25 68.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -62.13 -46.6 88.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.174 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -75.47 -29.87 59.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -76.46 -53.7 7.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -43.81 -27.37 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' ALA . 30.2 tt0 -98.84 -37.58 9.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.362 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.835 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -93.91 30.38 1.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.405 1.066 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -89.91 -14.04 35.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.534 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 1.1 m-20 -117.04 -9.51 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 35' ' ' ASN . 70.8 mt -73.41 -34.07 42.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -85.19 -46.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 4.5 ptm180 -57.13 -33.08 67.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.4 t -64.89 -37.79 88.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.048 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -90.42 -6.75 54.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.807 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -148.38 62.78 6.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.0 Cg_endo -75.03 0.18 9.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.799 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -12.76 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.237 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.513 HD12 HG23 ' A' ' 51' ' ' VAL . 19.4 pt -113.33 -179.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.168 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 49' ' ' GLY . 7.6 p -142.57 177.37 8.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -40.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -44.92 -44.72 8.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -1.98 8.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 0.785 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG23 HD12 ' A' ' 46' ' ' ILE . 1.7 t -86.25 -49.88 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.25 -14.2 76.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.068 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.92 14.23 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -120.98 -41.5 2.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.835 HD11 ' O ' ' A' ' 35' ' ' ASN . 11.0 mt -49.19 -36.47 19.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.108 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.35 -29.29 37.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.62 -28.79 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 0.739 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 62' ' ' LEU . 39.4 mttm -79.54 -36.38 38.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.407 1.067 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.487 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 48.8 t-105 -60.89 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 pttt -67.31 -24.05 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.24 5.83 50.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 58' ' ' LYS . 1.4 tp -82.12 6.04 17.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.589 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.1 OUTLIER 52.13 171.69 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.491 -179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.589 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.02 -2.98 13.25 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.555 1.818 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.3 mt-10 -83.58 -21.75 32.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.766 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 3.1 mm-40 -119.51 -11.5 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.365 1.041 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -92.39 -27.12 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.793 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.8 pt20 -74.89 -32.82 1.36 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.04 -54.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.442 ' CD2' ' HB2' ' A' ' 31' ' ' PHE . 1.7 m-85 -61.39 -48.41 81.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 19.3 tt0 -60.52 -33.27 72.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -64.94 -34.18 77.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.86 -36.7 56.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -15.88 61.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -18.46 59.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.257 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.94 -45.91 11.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -58.93 -21.96 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.5 68.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -38.52 17.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -44.57 93.03 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.605 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 67.8 t80 -56.65 -17.55 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.67 -18.96 29.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -73.34 -41.27 63.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.94 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -80.99 -18.67 46.14 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -30.11 51.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -60.35 -50.59 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.8 mm? -63.69 -48.61 76.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.967 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.7 t80 -54.69 -49.28 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -63.34 -29.32 70.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -70.41 -22.44 62.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.1 -20.24 41.89 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.23 173.38 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 179.952 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mmt . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.511 0.196 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.1 t -75.71 110.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 p -92.91 158.34 37.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.363 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.22 39.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -123.37 -56.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.23 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 176.76 147.96 0.3 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 18.3 Cg_endo -74.98 -163.47 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.423 1.749 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 2.8 mmtt 170.52 -168.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -73.12 -176.42 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.91 159.14 27.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -146.0 174.19 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -130.37 134.26 47.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.81 130.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -160.58 79.87 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 176.7 111.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mttp 40.67 80.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.49 167.29 17.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.99 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.385 1.729 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -64.23 76.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -119.11 169.14 8.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.635 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.96 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.418 1.746 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.86 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.82 106.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.222 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.95 120.73 1.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mt -45.35 167.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.12 154.73 17.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.44 -30.82 13.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -63.24 -32.11 73.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.4 mmt -70.24 -48.91 54.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -52.07 -39.51 59.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.431 ' HB2' ' CE2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -81.5 -25.47 35.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 111.024 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -78.15 -48.35 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -44.75 -27.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 32' ' ' ALA . 4.7 tt0 -101.64 -32.75 10.19 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.795 ' O ' HD21 ' A' ' 55' ' ' LEU . 1.5 m-80 -99.81 33.91 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.9 mmt180 -107.88 3.78 24.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.86 -39.67 2.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.03 -36.52 31.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.779 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -83.72 -42.66 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -57.62 -30.91 65.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 t -72.31 -33.53 67.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -87.83 -8.86 55.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 110.238 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.779 HD21 HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -147.9 63.41 7.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.612 1.195 . . . . 0.0 109.243 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -74.97 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.47 -11.3 37.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.435 HG13 ' N ' ' A' ' 47' ' ' THR . 0.6 OUTLIER -108.23 -175.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 46' ' ' ILE . 62.3 p -127.62 -172.22 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.07 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CZ ' ' CZ ' ' A' ' 36' ' ' ARG . 8.4 t80 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.29 -7.91 47.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -117.12 -11.77 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 0.804 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 40' ' ' ARG . 1.9 t -88.72 -44.95 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.92 69.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.02 -4.85 52.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 109.247 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -120.29 -42.44 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.795 HD21 ' O ' ' A' ' 35' ' ' ASN . 8.5 mt -48.91 -38.91 24.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.376 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.13 -26.09 48.6 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.82 -29.98 56.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 110.271 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.674 ' O ' HD13 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -82.09 -31.75 30.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.901 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -63.05 -48.16 79.89 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -71.23 -26.97 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.35 4.38 54.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 58' ' ' LYS . 1.1 mp -83.14 -2.74 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.127 . . . . 0.0 109.233 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.66 ' CG2' ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 55.2 167.21 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.561 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.6 Cg_endo -75.03 15.3 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.66 ' H ' ' CG2' ' A' ' 63' ' ' THR . 3.0 mm-40 -97.16 -41.08 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 40.1 mm-40 -89.25 -25.06 21.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' GLU . 10.0 ttpt -84.98 -38.61 19.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 64' ' ' PRO . 2.1 mt-30 -39.62 -54.04 4.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.464 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.3 Cg_endo -75.04 -51.12 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -51.1 -59.03 4.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -52.71 -41.31 63.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.49 -28.35 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -71.88 -35.75 69.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.3 -13.98 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -73.9 -25.82 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.96 -41.83 34.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.601 1.188 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -22.9 61.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -30.42 70.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -86.4 -35.6 19.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.366 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -59.52 -40.85 88.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.665 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -56.47 -17.23 7.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -76.79 -19.42 57.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 p -56.26 -50.91 70.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.958 -179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.67 -16.35 59.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.485 ' CA ' ' HG3' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -79.2 -30.57 43.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 0.0 109.316 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' HA ' ' OD1' ' A' ' 89' ' ' ASN . 61.6 mt-10 -67.0 -34.04 76.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.95 -45.74 33.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 91' ' ' THR . 3.6 t80 -56.44 -53.88 52.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -59.61 -34.34 72.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.145 . . . . 0.0 109.26 -179.925 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.14 -15.5 56.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -75.09 -27.58 59.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.412 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.55 -59.62 3.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.38 1.05 . . . . 0.0 109.306 179.972 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.529 0.204 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p -161.99 143.64 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 3' ' ' THR . 2.3 m -122.57 81.44 47.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.98 23.63 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -178.57 128.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.2 115.33 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -175.04 2.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.58 1.832 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.64 141.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.8 178.41 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.74 161.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.8 t -169.56 140.55 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -148.55 157.95 43.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.432 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -175.77 168.45 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 -177.61 4.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -144.33 80.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.87 118.14 29.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -151.18 147.96 21.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -159.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.039 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 2.1 p-10 -67.56 77.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.83 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -132.87 152.84 80.56 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . 18.2 Cg_endo -75.06 114.86 4.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.7 -66.83 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' ALA . 5.2 ptt180 170.78 115.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.655 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -39.62 122.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 mp -45.76 165.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.89 154.5 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.06 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.57 -30.56 13.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -63.76 -32.14 73.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.2 mmt -69.61 -47.71 62.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -52.88 -42.3 65.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CD1' ' CD2' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -78.45 -29.74 47.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' ARG . . . -73.8 -52.16 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.91 -23.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -38.81 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.233 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.871 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.7 m-80 -96.18 30.73 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' HD3' ' CE1' ' A' ' 48' ' ' PHE . 1.4 tmm_? -92.64 -15.2 27.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.9 OUTLIER -116.22 -10.76 11.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 35' ' ' ASN . 73.2 mt -71.85 -34.98 53.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 HD21 ' A' ' 43' ' ' ASN . 0.7 OUTLIER -84.82 -46.74 17.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 5.3 ptm180 -56.19 -33.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.4 t -63.74 -34.19 77.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -93.56 -6.05 47.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.802 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -148.41 61.95 6.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.5 Cg_endo -74.98 0.41 8.93 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.23 -14.56 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' CD1' HG23 ' A' ' 51' ' ' VAL . 36.8 pt -110.18 -171.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -142.18 -175.81 4.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.552 ' CE1' ' HA3' ' A' ' 52' ' ' GLY . 3.1 t80 -54.96 -30.13 58.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.78 -36.86 6.77 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' CG ' ' HB ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -117.55 -21.99 8.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.272 -179.941 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 46' ' ' ILE . 2.0 t -76.71 -49.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 48' ' ' PHE . . . -68.44 -17.73 70.9 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.44 15.39 28.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.779 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.17 -42.6 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.871 HD11 ' O ' ' A' ' 35' ' ' ASN . 7.0 mt -46.43 -39.18 10.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.4 -29.8 17.57 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.448 1.092 . . . . 0.0 111.084 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.6 -28.12 58.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.603 0.825 . . . . 0.0 110.283 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 62' ' ' LEU . 8.2 mtpt -80.78 -39.92 25.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.42 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 52.6 t-105 -56.75 -49.46 75.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -70.22 -26.09 63.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.28 8.4 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' CD2' ' CD1' ' A' ' 31' ' ' PHE . 1.7 tp -84.76 4.23 33.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.869 HG22 ' HD2' ' A' ' 64' ' ' PRO . 0.2 OUTLIER 53.23 169.31 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.869 ' HD2' HG22 ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.97 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.589 1.837 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 69' ' ' PRO . 1.4 mt-10 -82.97 -22.51 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 110.259 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 4.3 mm-40 -118.68 -11.69 9.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 110.339 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 5.5 tttm -92.01 -27.15 18.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.232 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.787 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 4.5 pt20 -74.8 -32.52 1.34 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -75.06 -55.41 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.004 179.936 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.49 -51.15 70.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.55 -33.55 72.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.62 -33.73 74.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -72.9 -34.03 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.399 1.062 . . . . 0.0 109.351 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.97 -12.92 61.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -17.64 59.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.6 -42.02 11.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -19.15 47.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -62.93 -25.3 68.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -34.16 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.184 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -67.1 -40.74 86.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.655 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 12.6 t80 -58.77 -14.99 10.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 111.037 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -82.93 -19.86 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t -60.41 -49.36 77.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -77.35 -15.64 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 21' ' ' PRO . 2.4 tmtm? -80.41 -28.79 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -61.27 -50.84 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.14 -46.56 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.83 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 6.7 t80 -57.35 -54.69 43.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -63.95 -33.13 75.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.86 -26.4 66.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.94 -25.35 26.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.27 -57.16 14.0 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.973 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.487 0.184 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.4 m -141.78 -177.3 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 4' ' ' PRO . 17.3 m -143.88 144.96 28.68 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 3' ' ' THR . 18.1 Cg_endo -74.96 162.54 37.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.558 1.82 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.97 145.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.43 103.34 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.04 147.59 3.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.91 136.26 12.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.61 158.28 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.8 m -157.44 144.32 18.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -138.75 132.19 30.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.95 151.68 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -170.7 176.82 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 109.367 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.7 -67.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.95 171.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.73 163.07 17.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -159.81 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -68.98 77.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.07 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -138.82 141.77 31.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 148.72 35.27 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.7 -70.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' ALA . 5.1 ttm180 179.71 40.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB2' ' CB ' ' A' ' 81' ' ' TYR . . . 39.85 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.885 HD22 ' HG3' ' A' ' 29' ' ' MET . 1.3 mt -50.4 179.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -122.02 157.54 31.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.584 ' HB3' ' HZ2' ' A' ' 59' ' ' TRP . . . -43.79 -27.25 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' HA ' ' CE2' ' A' ' 59' ' ' TRP . 0.7 OUTLIER -58.31 -57.47 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.97 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.885 ' HG3' HD22 ' A' ' 25' ' ' LEU . 5.8 tmm? -52.22 -45.74 65.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 58.5 m-85 -50.11 -46.85 54.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.751 ' CD2' ' CE3' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -80.05 -17.57 52.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -80.76 -52.93 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' ND2' ' SD ' ' A' ' 29' ' ' MET . 1.0 OUTLIER -42.47 -28.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 32' ' ' ALA . 6.5 mm-40 -98.36 -32.98 11.24 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.735 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.9 m-80 -97.22 30.79 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.586 ' CD ' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -104.36 12.03 33.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.372 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -120.32 -38.55 2.89 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.408 1.067 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 38' ' ' ILE . 3.9 mp -57.79 -37.09 57.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.847 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.95 -43.64 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 0.1 OUTLIER -58.34 -37.19 74.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -62.25 -43.56 98.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -82.63 -10.17 59.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.847 ' ND2' HG12 ' A' ' 39' ' ' VAL . 3.5 m-20 -138.52 60.09 19.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.0 1.51 7.66 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.048 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.13 -18.16 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 12.1 pt -102.09 177.6 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -121.01 -169.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -65.95 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.92 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.63 -8.42 60.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -116.81 -13.75 10.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 0.729 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.586 HG11 ' CD ' ' A' ' 36' ' ' ARG . 1.4 t -82.91 -42.37 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.69 -20.76 70.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -79.62 -4.86 53.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.607 0.828 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' HG11 ' A' ' 39' ' ' VAL . 10.1 tttt -120.18 -46.87 2.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.735 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.8 mt -48.73 -44.17 38.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -48.16 -31.8 8.88 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.01 -36.27 83.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 0.732 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.5 mttt -75.86 -29.93 58.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 31' ' ' PHE . 32.2 t-105 -61.49 -60.34 3.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -60.93 -24.25 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -88.99 -1.65 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.384 1.052 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD21 ' HE2' ' A' ' 70' ' ' TYR . 3.1 tp -80.52 3.38 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.952 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.84 168.61 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.557 1.16 . . . . 0.0 110.426 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.01 -24.17 13.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.952 ' H ' HG23 ' A' ' 63' ' ' THR . 2.3 mm-40 -60.11 -37.75 80.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 4.5 mm-40 -91.87 -25.71 18.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -82.18 -14.96 54.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.521 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . 1.2 mt-30 -59.35 -58.4 19.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.4 Cg_endo -74.99 -44.67 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -50.55 -58.31 6.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -59.05 -37.35 76.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.75 -24.06 55.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -82.51 -52.84 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' HB2' ' N ' ' A' ' 27' ' ' ALA . . . -60.96 -17.27 50.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -16.62 61.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.231 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.37 -41.47 14.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -16.19 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -62.32 -27.32 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -88.42 -26.91 21.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 2.2 mtp180 -69.95 -47.42 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.74 ' CB ' ' HB2' ' A' ' 24' ' ' ALA . 3.1 t80 -57.73 -15.44 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.08 -34.66 16.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.84 84.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.32 -24.3 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.085 . . . . 0.0 110.262 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -29.14 68.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -47.9 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -69.21 -46.9 66.28 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.07 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.3 t80 -54.74 -47.1 74.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -70.42 -39.1 74.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.04 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -31.3 48.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -61.59 2.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.532 0.206 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -67.78 174.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 2.1 t -47.64 147.8 2.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.459 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.5 Cg_endo -75.04 121.82 6.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 154.55 39.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -128.56 89.73 48.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 86.44 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.505 1.792 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -170.11 61.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -171.18 169.94 6.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.06 105.01 17.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -163.75 148.02 10.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.368 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -129.3 98.69 4.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.77 125.3 39.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -179.96 98.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -151.74 -63.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -71.54 77.83 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.226 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.24 91.28 0.93 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' C ' ' ND2' ' A' ' 19' ' ' ASN . 18.1 Cg_endo -74.98 -158.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 18' ' ' PRO . 5.3 p30 40.29 72.85 0.14 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.671 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -148.24 155.01 43.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.34 14.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.71 34.57 3.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 62.36 92.2 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.747 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -54.48 130.87 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.98 169.69 8.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -90.22 145.72 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . . . -40.83 -30.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 26' ' ' SER . 12.6 t80 -67.87 -47.46 68.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' SER . 1.4 mpp? -62.0 -31.08 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -62.5 -54.88 33.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.375 1.047 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.624 ' CZ ' HD22 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -75.46 -26.33 58.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.68 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 29' ' ' MET . 1.1 m-80 -48.94 -24.88 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -106.41 -29.86 9.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.881 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -93.9 28.27 2.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' NE ' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.46 -16.68 22.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.52 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 5.2 m-20 -117.61 -8.23 10.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 109.257 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 35' ' ' ASN . 62.5 mt -74.69 -34.1 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.837 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -85.21 -45.87 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 7.9 ptm180 -57.03 -33.23 66.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -60.74 -37.94 83.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -92.58 -11.3 34.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.877 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -141.5 59.29 9.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.3 Cg_endo -75.03 6.21 3.54 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.01 -21.94 23.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.915 HD11 HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -97.55 -177.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.508 ' N ' HG12 ' A' ' 46' ' ' ILE . 33.3 p -124.73 -179.23 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.507 ' CE2' ' NE ' ' A' ' 36' ' ' ARG . 1.1 t80 -60.86 -18.19 54.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.87 -13.14 83.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -117.05 -18.29 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.915 HG23 HD11 ' A' ' 46' ' ' ILE . 1.9 t -89.29 -44.42 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -70.57 -18.77 75.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.48 16.89 24.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 57' ' ' GLU . 2.8 mttp -129.17 -43.78 1.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.881 HD11 ' O ' ' A' ' 35' ' ' ASN . 5.1 mt -42.44 -45.49 4.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -46.96 -35.84 8.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 54' ' ' LYS . 2.2 mt-10 -66.59 -30.02 70.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 17.5 mmtt -78.85 -40.9 31.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.428 ' O ' ' HB2' ' A' ' 62' ' ' LEU . 63.9 t-105 -53.94 -45.23 71.18 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -73.88 -25.24 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 58' ' ' LYS . . . -85.74 -7.42 58.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' CG ' ' A' ' 66' ' ' GLU . 1.9 mp -74.39 -2.03 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.363 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.943 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 52.38 169.97 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.458 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.56 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -74.98 -27.92 9.65 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.943 ' H ' HG23 ' A' ' 63' ' ' THR . 2.7 mt-10 -59.49 -45.89 90.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' OE1' ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -90.44 -27.85 19.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 63' ' ' THR . 18.8 ttpt -83.37 -6.22 59.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.5 mt-30 -67.54 -57.06 10.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 68' ' ' GLN . 18.3 Cg_endo -74.92 -41.34 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.619 ' CD2' ' OE1' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -53.26 -61.69 2.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 29.5 tt0 -63.34 -35.35 80.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -58.12 -26.97 63.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -79.59 -41.91 26.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.555 ' HB3' ' HB2' ' A' ' 27' ' ' ALA . . . -69.17 -18.1 63.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -21.89 57.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.242 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -40.73 44.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -74.45 -12.67 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -72.69 -26.9 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.0 -11.08 16.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -26.41 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.747 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 41.3 t80 -78.9 -17.23 55.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -89.01 -19.2 25.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.89 -48.92 15.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.077 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -32.74 69.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -64.06 -36.68 84.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -53.99 -37.59 64.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -47.35 16.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.671 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 1.2 t80 -59.08 -39.45 82.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -74.19 -42.77 59.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.74 62.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.99 -32.22 39.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.446 1.091 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.842 HD12 ' O ' ' A' ' 92' ' ' LEU . 3.0 pp -121.37 61.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 179.911 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.496 0.189 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.5 t -99.27 136.8 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 m -126.06 88.52 54.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.346 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 171.72 17.77 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.518 1.799 . . . . 0.0 111.07 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 169.84 132.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -158.08 85.66 2.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 160.06 40.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.54 174.23 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tptt -97.4 66.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 172.29 130.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 t -150.11 131.22 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 12' ' ' THR . 6.5 t -113.58 47.48 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.38 172.14 7.51 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 110.381 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' LYS . 5.2 pttm -97.39 -38.66 9.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 12.7 mttt 66.29 149.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -76.4 178.22 6.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -145.09 144.86 25.01 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.4 Cg_endo -74.93 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.511 1.795 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.6 p-10 -65.49 77.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.923 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -119.12 176.02 1.91 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.795 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 18.1 Cg_endo -75.02 151.87 39.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.531 1.806 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' C ' ' CG ' ' A' ' 23' ' ' ARG . 0.9 OUTLIER -86.61 47.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' CG ' ' C ' ' A' ' 22' ' ' LYS . 7.1 ptm180 38.1 86.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -61.1 143.48 55.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -102.03 166.91 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.3 OUTLIER -91.97 151.59 20.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.96 -30.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' N ' ' C ' ' A' ' 26' ' ' SER . 11.9 t80 -64.54 -50.07 68.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.9 mpp? -55.69 -40.87 72.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -55.64 -51.48 67.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -72.01 -22.8 61.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.058 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.579 ' HA ' HD13 ' A' ' 55' ' ' LEU . . . -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 29' ' ' MET . 27.7 m120 -56.84 -20.21 21.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -102.75 -39.15 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.827 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.1 m-80 -95.46 28.86 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 -16.47 31.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.92 -10.58 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 35' ' ' ASN . 86.8 mt -69.72 -35.19 64.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.836 HG12 HD21 ' A' ' 43' ' ' ASN . 0.5 OUTLIER -84.45 -43.26 17.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -33.74 65.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -64.03 -34.33 77.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.73 -7.63 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.836 HD21 HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.83 63.64 6.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.2 Cg_endo -75.04 0.4 8.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 111.039 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.11 -11.18 39.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 51' ' ' VAL . 20.2 pt -115.88 -173.57 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -150.44 -178.74 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -41.02 -27.97 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.35 -40.48 10.9 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.381 1.051 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.3 5.51 4.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 0.828 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.479 HG23 HD12 ' A' ' 46' ' ' ILE . 2.6 t -96.5 -38.16 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.32 76.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -99.34 10.95 40.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 5.0 mmtt -112.31 -26.07 8.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 35' ' ' ASN . 15.7 mt -72.4 -24.82 61.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.32 -37.65 95.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.8 OUTLIER -75.02 -25.02 58.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 -179.904 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.611 ' O ' HD13 ' A' ' 62' ' ' LEU . 20.2 mttm -84.08 -34.97 24.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.531 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 49.6 t-105 -61.44 -52.17 65.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.97 -26.89 64.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -93.87 10.27 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.656 ' O ' HG22 ' A' ' 63' ' ' THR . 1.2 tp -87.59 16.39 5.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.968 HG23 ' H ' ' A' ' 65' ' ' GLU . 1.3 t 53.06 159.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 110.428 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.71 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -74.88 -4.74 15.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.968 ' H ' HG23 ' A' ' 63' ' ' THR . 4.0 mt-10 -84.47 -20.54 31.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 110.338 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.782 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 2.2 mm-40 -116.53 -13.59 10.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.53 -26.26 18.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.796 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 7.1 pt20 -75.15 -31.9 1.18 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 68' ' ' GLN . 18.1 Cg_endo -75.09 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.21 -41.46 93.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 111.054 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -68.8 -33.0 73.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -60.69 -37.14 80.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -76.16 -39.37 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -12.95 61.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.45 -22.58 54.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.18 -33.93 24.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -21.06 44.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.2 tttt -71.64 -26.28 62.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.227 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -87.54 -41.64 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -47.57 68.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.702 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 91.8 t80 -56.4 -18.21 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.83 -19.7 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -46.29 17.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -71.44 -30.74 66.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.77 -35.34 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 3.0 tt0 -60.37 -24.94 65.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.9 OUTLIER -88.3 -45.45 10.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.923 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 3.1 t80 -58.1 -43.39 87.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 86' ' ' GLU . 0.8 OUTLIER -69.58 -30.42 68.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.352 179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . -60.36 -22.16 62.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.549 ' HB ' HD13 ' A' ' 92' ' ' LEU . 83.5 m -66.36 -34.01 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.722 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -135.05 44.04 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.943 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.503 0.192 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.93 138.36 53.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 3' ' ' THR . 11.8 t -172.73 86.4 0.41 Allowed Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.505 1.128 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.43 27.06 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -177.08 125.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -171.75 114.02 0.41 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.253 -180.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 177.63 8.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.507 1.793 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -173.93 140.91 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 123.52 10.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 179.79 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -111.67 44.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.3 m -60.93 114.37 3.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 90.24 5.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 137.64 43.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.28 69.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 93.13 3.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -122.16 147.71 50.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -159.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.809 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.458 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.5 p-10 -67.26 77.41 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.98 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . . . -134.86 151.08 74.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.91 13.66 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.455 1.766 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -51.18 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 22' ' ' LYS . 3.7 mtp180 161.68 96.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.52 112.54 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.9 mp -60.21 166.13 3.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.1 OUTLIER -94.34 152.16 18.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.934 -179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -41.42 -29.78 0.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE1' ' HA2' ' A' ' 56' ' ' GLY . 8.5 t80 -66.55 -47.27 73.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 25' ' ' LEU . 1.7 mpp? -65.11 -30.05 70.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 27' ' ' ALA . 19.7 m-85 -61.39 -49.14 78.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.68 ' CD1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.5 -26.69 45.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASN . . . -76.49 -50.4 14.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 36' ' ' ARG . 1.1 m-80 -40.98 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 32' ' ' ALA . 1.3 mt-10 -100.39 -31.5 11.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.622 ' O ' HD11 ' A' ' 55' ' ' LEU . 1.4 m-80 -95.13 29.08 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' CZ ' ' HA ' ' A' ' 33' ' ' ASN . 4.2 ttp180 -103.66 8.41 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.486 ' HA ' ' CD ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -114.28 -30.34 6.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.359 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.51 -36.08 76.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.18 -47.32 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 37' ' ' ASP . 1.1 ptm180 -57.61 -32.96 67.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -33.42 75.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -93.3 -7.15 45.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.255 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.806 HD21 HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -147.56 61.75 6.48 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.4 Cg_endo -74.94 -5.84 17.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.012 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.38 -13.77 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.773 HD13 ' HG2' ' A' ' 50' ' ' GLN . 2.2 pp -121.89 171.31 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLY . 69.4 p -131.46 -171.09 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CE2' ' HA3' ' A' ' 52' ' ' GLY . 10.3 t80 -37.46 -31.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' THR . . . -38.78 -43.92 1.77 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.773 ' HG2' HD13 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -121.75 -4.11 9.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 0.759 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.754 HG23 HD11 ' A' ' 46' ' ' ILE . 1.4 t -90.72 -46.9 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.556 ' HA3' ' CE2' ' A' ' 48' ' ' PHE . . . -72.32 -8.6 70.96 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -107.65 8.25 28.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -122.85 -42.81 2.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD11 ' O ' ' A' ' 35' ' ' ASN . 6.9 mt -52.14 -41.16 62.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.514 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -47.7 -34.47 10.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.06 -33.33 75.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' LEU . 24.4 mttt -76.47 -32.85 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.505 ' CH2' ' HB1' ' A' ' 27' ' ' ALA . 70.3 t-105 -60.61 -49.01 79.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 107.964 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -65.8 -28.53 69.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.43 6.56 48.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD21 ' CD1' ' A' ' 31' ' ' PHE . 3.7 tp -78.29 -2.32 37.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.977 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.6 OUTLIER 52.91 167.97 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.417 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.666 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.1 Cg_endo -75.05 -22.79 14.37 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.977 ' H ' HG23 ' A' ' 63' ' ' THR . 3.6 mm-40 -63.49 -34.47 77.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.67 ' HG2' HG22 ' A' ' 63' ' ' THR . 3.3 mm-40 -96.02 -25.78 15.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -82.02 -28.59 32.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 1.3 mt-30 -46.49 -55.92 12.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.486 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.0 -47.04 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -55.33 -72.62 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 tt0 -46.35 -42.28 14.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.592 ' O ' ' CD ' ' A' ' 75' ' ' GLN . . . -63.97 -47.5 80.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.428 1.08 . . . . 0.0 109.236 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -48.08 -24.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 71' ' ' GLU . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.854 HE21 ' N ' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -70.68 -6.17 35.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.854 ' N ' HE21 ' A' ' 75' ' ' GLN . . . -102.98 -54.68 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -55.94 -24.48 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -65.87 -28.83 69.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.96 -36.22 28.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -64.11 -44.37 92.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -55.01 -19.67 7.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.46 -20.38 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.81 -47.14 72.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.96 -20.7 52.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.74 -30.64 56.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.355 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 3.9 tt0 -60.2 -50.79 72.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -46.77 74.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.98 ' CD1' ' HB2' ' A' ' 20' ' ' ALA . 3.5 t80 -56.99 -49.31 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -71.54 -23.93 61.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -79.3 -13.98 59.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.87 -23.18 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.405 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.8 pp -106.45 -38.73 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.994 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.508 0.194 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.52 146.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 4.5 t -104.29 146.09 31.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 3' ' ' THR . 18.5 Cg_endo -74.9 -164.52 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.526 1.803 . . . . 0.0 111.051 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 179.57 171.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -170.68 120.85 0.53 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.64 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -135.76 154.04 51.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.78 128.34 16.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.36 175.19 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -156.27 151.6 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.6 t -132.01 -179.91 5.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 179.91 157.97 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -174.16 138.72 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -105.4 -171.88 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.229 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -162.96 151.6 14.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.44 111.25 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -159.72 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.457 1.767 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.448 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 1.9 p-10 -69.84 78.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.738 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . . . -134.23 142.94 44.97 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 20' ' ' ALA . 18.3 Cg_endo -75.05 131.72 14.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.448 1.762 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.16 50.88 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.513 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 6.3 mtt180 58.61 114.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 81' ' ' TYR . . . -40.43 104.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.211 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.683 ' H ' HD12 ' A' ' 25' ' ' LEU . 4.1 mp -42.29 159.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' MET . 0.8 OUTLIER -90.52 155.09 19.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.38 -29.91 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.88 -30.51 71.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 26' ' ' SER . 12.4 mmt -74.0 -40.12 63.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -59.1 -44.14 91.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD2' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -78.65 -33.78 46.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' GLU . . . -71.83 -49.22 40.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -47.27 -23.97 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 32' ' ' ALA . 3.6 mt-10 -107.28 -29.08 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.918 ' HA ' HD12 ' A' ' 38' ' ' ILE . 1.4 m-80 -96.36 31.14 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -99.6 -5.83 28.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 110.283 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.5 t0 -114.22 -32.7 5.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.918 HD12 ' HA ' ' A' ' 35' ' ' ASN . 13.0 mt -57.28 -32.0 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.848 HG12 ' ND2' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -83.62 -43.96 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.168 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.409 ' HD2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -57.82 -37.48 73.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -64.02 -40.85 97.24 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.038 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.54 -5.78 59.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.848 ' ND2' HG12 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -149.56 63.41 6.47 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 43' ' ' ASN . 18.6 Cg_endo -74.99 0.12 9.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.36 -16.1 29.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 HG12 ' CB ' ' A' ' 43' ' ' ASN . 37.2 pt -109.61 -177.42 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.4 p -145.85 179.96 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -45.24 -24.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.55 -49.69 7.05 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' N ' HE21 ' A' ' 50' ' ' GLN . 0.0 OUTLIER -118.62 -15.75 9.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 110.278 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 46' ' ' ILE . 1.5 t -65.76 -42.67 92.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.81 -16.16 80.36 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.78 14.77 27.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -119.37 -39.65 2.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.765 HD11 ' O ' ' A' ' 35' ' ' ASN . 8.3 mt -49.05 -31.51 7.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.58 -27.55 48.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.72 -32.09 52.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.312 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 62' ' ' LEU . 12.2 mttm -78.33 -36.63 46.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.46 -52.72 64.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 108.053 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.92 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.211 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' LYS . . . -91.38 4.64 51.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 31' ' ' PHE . 3.6 tp -80.08 1.87 26.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.922 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER 51.15 170.19 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.344 179.935 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 18.4 Cg_endo -75.03 -27.02 10.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.502 1.791 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.922 ' H ' HG23 ' A' ' 63' ' ' THR . 4.7 mt-10 -61.59 -25.04 67.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.797 ' C ' ' HD2' ' A' ' 69' ' ' PRO . 1.6 mm-40 -116.12 -14.03 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.358 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' N ' ' HD2' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -91.06 -25.18 19.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.789 ' N ' ' CD ' ' A' ' 69' ' ' PRO . 3.9 pt20 -75.43 -33.2 1.34 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.276 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 66' ' ' GLU . 18.2 Cg_endo -75.09 -53.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -62.34 -48.3 80.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 24.4 tt0 -61.71 -36.17 80.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.435 1.085 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 68' ' ' GLN . . . -61.55 -33.6 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -74.37 -33.59 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.47 -15.09 61.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.94 -19.66 58.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.54 -47.08 12.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -57.27 -18.27 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.357 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -58.85 -29.4 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -89.34 -32.97 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.23 -41.81 98.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.665 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 73.5 t80 -59.51 -14.09 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.4 1.063 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -87.92 -19.47 27.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -77.35 -61.44 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.613 1.196 . . . . 0.0 109.899 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.14 -40.94 87.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.243 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -60.43 -35.9 76.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' O ' ' OD1' ' A' ' 89' ' ' ASN . 6.4 tt0 -55.88 -43.96 77.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 mp -68.81 -45.42 71.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.738 ' CE1' ' HB2' ' A' ' 20' ' ' ALA . 7.1 t80 -59.05 -54.29 48.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.462 ' ND2' ' C ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -58.47 -28.42 65.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.914 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.21 -12.72 61.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -92.52 -31.87 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 89' ' ' ASN . 2.1 pp -92.86 -37.66 12.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 179.973 . . . . . . . . 0 0 . 1 stop_ save_