data_2k1f_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 2k1f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 122.656 1.217 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.603 ' CD2' ' HZ1' ' A' ' 28' ' ' LYS . 22.9 p80 -140.22 161.33 37.92 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.412 1.101 . . . . 0.0 112.065 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.72 151.92 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 125.271 1.428 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.95 143.06 32.29 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.64 134.05 55.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 108.533 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -108.34 120.79 43.4 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.65 116.51 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 O-C-N 120.916 -1.115 . . . . 0.0 109.058 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.93 118.59 36.92 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.252 1.025 . . . . 0.0 111.525 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.11 144.25 29.53 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.576 -1.952 . . . . 0.0 111.974 171.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.74 -38.41 60.85 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 126.964 2.105 . . . . 0.0 113.822 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -67.38 -92.39 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 127.7 2.4 . . . . 0.0 113.735 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.9 -6.47 0.12 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.437 1.895 . . . . 0.0 111.621 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.61 124.75 29.24 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.447 -2.033 . . . . 0.0 113.574 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -126.46 133.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 O-C-N 120.381 -1.449 . . . . 0.0 108.528 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.48 167.36 26.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 109.678 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -141.46 136.45 31.29 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.043 -1.661 . . . . 0.0 112.542 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -120.64 171.95 8.21 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.226 1.41 . . . . 0.0 111.397 -172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HZ1' ' CD2' ' A' ' 12' ' ' HIS . 18.9 ttpp -136.52 133.1 36.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.002 1.321 . . . . 0.0 108.924 -174.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tt -151.24 156.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.817 -1.177 . . . . 0.0 110.423 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -71.79 147.1 47.58 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 119.734 -1.854 . . . . 0.0 111.626 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.56 -21.63 64.53 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.868 -1.77 . . . . 0.0 114.694 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -75.96 -42.04 49.66 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.075 1.35 . . . . 0.0 113.52 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -76.28 144.49 74.84 Favored Pre-proline 0 C--N 1.342 0.253 0 O-C-N 120.454 -1.404 . . . . 0.0 114.083 -165.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.9 161.54 43.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.461 2.107 . . . . 0.0 111.245 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.05 -19.96 53.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -164.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -56.62 -41.94 77.95 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -77.08 -6.05 51.28 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 121.094 -1.004 . . . . 0.0 113.583 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -90.2 -51.85 5.24 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.101 -0.999 . . . . 0.0 109.255 163.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 88.7 mtp -54.97 -63.75 1.05 Allowed 'General case' 0 C--N 1.354 0.776 0 C-N-CA 125.578 1.551 . . . . 0.0 114.655 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.6 -30.37 70.64 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.456 -1.402 . . . . 0.0 111.655 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.1 83.17 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.045 -1.034 . . . . 0.0 113.733 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -67.57 -36.56 81.18 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.512 0.725 . . . . 0.0 112.78 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -58.03 -43.62 86.88 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.281 -1.512 . . . . 0.0 114.207 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.98 -49.53 61.13 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.261 1.024 . . . . 0.0 113.462 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.89 -1.756 . . . . 0.0 113.772 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.1 -48.65 15.55 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.097 -1.627 . . . . 0.0 112.421 165.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.0 0.87 Allowed Glycine 0 C--N 1.348 1.243 0 C-N-CA 125.647 1.594 . . . . 0.0 112.686 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.17 168.63 19.3 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 m -100.48 134.28 43.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.699 -1.251 . . . . 0.0 112.924 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -18.18 54.15 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -66.17 -18.18 65.18 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.977 -1.702 . . . . 0.0 115.302 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.06 -20.47 6.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.567 0 O-C-N 120.515 -1.365 . . . . 0.0 112.301 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.6 t -93.15 86.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.398 -1.439 . . . . 0.0 109.684 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -92.1 104.66 17.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.552 -1.343 . . . . 0.0 112.643 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -97.2 145.9 25.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.95 -1.094 . . . . 0.0 113.041 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 HH21 ' CD ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -142.3 142.11 32.49 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.096 -1.002 . . . . 0.0 110.907 171.531 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.89 132.09 56.75 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.527 1.931 . . . . 0.0 106.495 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t0 57.3 27.65 14.04 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.41 1.576 . . . . 0.0 112.835 -177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.1 16.98 67.39 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 119.938 -1.726 . . . . 0.0 115.624 -170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -129.8 161.15 61.21 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 109.935 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.85 160.35 37.43 Favored 'Trans proline' 0 C--N 1.331 -0.368 0 CA-C-N 122.483 1.923 . . . . 0.0 112.432 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.2 tt -140.6 164.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -128.77 178.6 6.23 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.054 -1.654 . . . . 0.0 110.071 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.63 -20.02 47.78 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.425 -1.422 . . . . 0.0 114.62 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -78.23 -34.0 49.48 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.739 0.816 . . . . 0.0 112.533 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.63 101.92 1.75 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.756 1.623 . . . . 0.0 112.046 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -76.96 149.03 79.68 Favored Pre-proline 0 C--N 1.345 0.394 0 O-C-N 119.329 -2.107 . . . . 0.0 110.579 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -73.13 -11.2 25.07 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 CA-C-N 122.694 1.998 . . . . 0.0 111.666 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -80.37 -7.64 59.18 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -85.84 -27.57 25.01 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.354 -1.466 . . . . 0.0 110.539 164.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -84.91 -48.18 9.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.1 -1.0 . . . . 0.0 112.54 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.277 81.7 mt-10 53.59 69.14 0.74 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -99.13 8.23 45.09 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.173 -0.954 . . . . 0.0 110.163 163.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.278 26.1 tp10 63.55 -99.9 0.08 Allowed 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.175 1.79 . . . . 0.0 110.585 -162.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -135.37 175.31 9.7 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.974 1.261 . . . . 0.0 113.494 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.41 73.3 1.22 Allowed Glycine 0 C--N 1.351 1.416 0 C-N-CA 123.874 0.75 . . . . 0.0 112.185 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -78.62 151.13 32.49 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.754 -0.851 . . . . 0.0 109.5 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -134.44 32.95 3.32 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.613 1.965 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -52.68 131.83 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.039 2.136 . . . . 0.0 115.139 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -94.39 155.67 16.86 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 119.888 -1.757 . . . . 0.0 111.778 -177.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -121.1 109.81 26.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-O 122.291 1.043 . . . . 0.0 109.636 167.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.85 80.42 7.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.279 -1.513 . . . . 0.0 109.643 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -57.97 162.09 3.56 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.151 1.78 . . . . 0.0 114.827 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 . . . . . 0 C--N 1.35 0.616 0 O-C-N 119.891 -1.756 . . . . 0.0 113.368 173.098 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -102.55 158.91 15.89 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.797 1.239 . . . . 0.0 112.32 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -136.66 175.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 124.054 0.942 . . . . 0.0 111.447 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -128.78 117.17 20.64 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.516 1.526 . . . . 0.0 110.151 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.59 142.72 27.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.628 0.728 . . . . 0.0 110.502 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -101.24 107.39 18.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.248 1.419 . . . . 0.0 109.821 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -97.7 99.56 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.765 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.45 101.78 13.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.572 1.149 . . . . 0.0 111.854 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.88 136.33 14.75 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 119.545 -1.972 . . . . 0.0 114.085 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.15 -32.16 73.44 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.48 -1.6 . . . . 0.0 112.51 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.91 49.62 1.09 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.003 1.721 . . . . 0.0 111.694 173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m120 66.84 -50.97 0.46 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.147 2.579 . . . . 0.0 117.68 175.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.95 118.42 12.77 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -95.62 128.85 46.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.875 -1.141 . . . . 0.0 110.367 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 t -120.83 158.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 125.024 1.33 . . . . 0.0 108.847 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.57 140.7 52.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.335 -2.103 . . . . 0.0 111.324 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -122.17 147.31 46.33 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.078 -1.014 . . . . 0.0 110.418 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -113.27 139.09 49.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.45 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 HG12 ' H ' ' A' ' 30' ' ' LYS . 5.8 tt -145.06 -179.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' H ' HG12 ' A' ' 29' ' ' ILE . 32.4 mtpt -98.17 159.74 14.74 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.803 -1.81 . . . . 0.0 110.629 170.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -74.05 -44.07 55.56 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -80.69 -2.91 48.7 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 120.569 -1.332 . . . . 0.0 114.111 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -88.13 131.23 43.38 Favored Pre-proline 0 C--N 1.352 0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.779 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.04 157.58 50.73 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.202 1.935 . . . . 0.0 111.814 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.95 -27.05 43.55 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -163.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -51.25 -38.18 51.24 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.725 1.61 . . . . 0.0 115.004 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -45.81 89.87 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.463 1.505 . . . . 0.0 113.182 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.86 -49.13 49.39 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.267 1.427 . . . . 0.0 111.483 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 87.2 mtp -51.9 -52.98 46.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.743 1.617 . . . . 0.0 112.886 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -65.34 -49.66 68.58 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.262 -0.899 . . . . 0.0 111.645 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.3 -41.94 66.14 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.48 -44.46 74.73 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.771 -1.205 . . . . 0.0 112.275 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.78 -43.81 98.12 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.767 -1.208 . . . . 0.0 113.208 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -53.19 57.82 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.419 2.287 . . . . 0.0 113.408 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -76.13 -19.75 58.23 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.002 -1.061 . . . . 0.0 113.085 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.22 -41.77 27.52 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.216 -1.552 . . . . 0.0 112.354 164.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 33.82 11.34 Favored Glycine 0 C--N 1.345 1.075 0 C-N-CA 126.011 1.767 . . . . 0.0 111.404 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.0 152.07 23.82 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 123.001 1.382 . . . . 0.0 113.051 -173.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -78.62 128.96 34.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 120.926 -1.109 . . . . 0.0 111.79 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.83 -33.54 71.9 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.829 -1.169 . . . . 0.0 112.577 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -44.36 -40.03 5.05 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.207 2.203 . . . . 0.0 116.859 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.65 5.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 O-C-N 120.68 -1.263 . . . . 0.0 112.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.9 88.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.09 0.956 . . . . 0.0 110.011 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -92.36 157.78 16.43 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.311 -2.118 . . . . 0.0 110.861 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -147.98 154.51 40.4 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.636 -1.29 . . . . 0.0 111.993 -172.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 154.13 49.12 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 168.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -117.53 123.99 47.62 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.64 25.52 6.47 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.08 -20.9 47.0 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 119.53 -1.982 . . . . 0.0 115.357 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -119.0 160.53 40.5 Favored Pre-proline 0 C--N 1.347 0.463 0 CA-C-N 119.628 1.714 . . . . 0.0 112.044 -172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.65 163.69 36.72 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-N 122.948 2.088 . . . . 0.0 112.104 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -143.86 155.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.39 160.43 14.29 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.469 -1.394 . . . . 0.0 109.374 171.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.53 -14.59 61.24 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 119.555 -1.966 . . . . 0.0 112.752 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -84.11 -8.16 59.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.531 1.932 . . . . 0.0 112.178 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -78.83 105.6 10.26 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.265 -1.522 . . . . 0.0 110.018 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.5 p -100.35 151.45 37.55 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 120.511 -1.368 . . . . 0.0 112.906 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 -7.37 18.17 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.216 1.944 . . . . 0.0 112.409 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -82.54 -41.08 20.1 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 110.89 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m -76.4 -28.56 56.75 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.66 -1.275 . . . . 0.0 112.739 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.29 -38.85 75.09 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.303 -1.498 . . . . 0.0 113.006 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.346 16.1 mt-10 67.61 19.06 9.9 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 61.5 tpp -63.93 138.48 58.49 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.734 1.213 . . . . 0.0 108.809 159.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.29 -69.97 0.47 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.149 -1.594 . . . . 0.0 111.836 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.87 165.73 35.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.75 32.41 1.58 Allowed Glycine 0 C--N 1.345 1.055 0 C-N-CA 124.197 0.904 . . . . 0.0 111.017 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.19 115.54 16.01 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.119 2.168 . . . . 0.0 112.612 -166.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 p -91.56 103.21 15.83 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.592 1.557 . . . . 0.0 114.842 -166.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 tt -118.4 126.41 75.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 O-C-N 120.441 -1.412 . . . . 0.0 111.116 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -90.39 146.84 23.85 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.741 -1.849 . . . . 0.0 111.075 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.1 t -117.94 114.65 45.97 Favored 'Isoleucine or valine' 0 C--N 1.345 0.372 0 CA-C-O 123.008 1.385 . . . . 0.0 110.592 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 100.09 11.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.425 1.49 . . . . 0.0 108.989 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.23 127.91 34.24 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.485 -1.384 . . . . 0.0 112.153 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.448 -0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 112.154 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -91.06 133.64 35.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.173 1.389 . . . . 0.0 110.342 169.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.4 137.51 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -87.74 136.37 32.98 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.415 1.086 . . . . 0.0 111.952 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 153.24 50.69 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.814 0.845 . . . . 0.0 109.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -125.76 138.93 53.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.065 -1.022 . . . . 0.0 111.758 174.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.01 112.2 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 124.184 0.993 . . . . 0.0 108.718 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.5 88.91 6.08 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.2 1.0 . . . . 0.0 110.018 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.67 120.44 5.28 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 121.121 -0.987 . . . . 0.0 111.893 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -8.1 44.88 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.18 17.66 0.34 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.018 1.727 . . . . 0.0 111.857 167.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 76.87 -20.43 0.37 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.909 2.484 . . . . 0.0 114.13 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.56 67.4 0.76 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.664 1.586 . . . . 0.0 114.772 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.81 134.55 27.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 125.589 1.556 . . . . 0.0 110.37 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.08 151.38 19.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 123.914 0.886 . . . . 0.0 111.184 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.87 141.02 52.4 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.376 -1.453 . . . . 0.0 110.784 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -154.74 178.56 10.0 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.066 -1.021 . . . . 0.0 110.342 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -140.72 152.3 45.18 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.121 -1.612 . . . . 0.0 114.629 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.15 159.62 42.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 C-N-CA 125.543 1.537 . . . . 0.0 108.338 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -75.42 144.36 42.23 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.948 -2.345 . . . . 0.0 111.334 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -80.48 1.87 27.59 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.933 -1.73 . . . . 0.0 115.419 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -87.39 -31.63 19.99 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.084 -1.635 . . . . 0.0 112.542 170.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 p -82.34 149.8 62.49 Favored Pre-proline 0 C--N 1.345 0.396 0 O-C-N 120.691 -1.255 . . . . 0.0 113.279 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -74.58 169.16 23.16 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.482 2.121 . . . . 0.0 112.176 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.81 -32.87 65.83 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.535 -0.728 . . . . 0.0 112.962 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -47.71 -41.18 22.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.739 -1.225 . . . . 0.0 112.938 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.9 -49.85 41.31 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.482 -2.011 . . . . 0.0 110.557 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.5 mmm -50.48 -57.92 6.94 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -80.39 -5.7 56.87 Favored 'General case' 0 C--N 1.345 0.373 0 O-C-N 120.256 -1.527 . . . . 0.0 113.291 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.07 16.66 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 119.945 -1.722 . . . . 0.0 110.346 164.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -55.59 32.01 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.742 1.217 . . . . 0.0 112.535 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.5 m -58.51 -54.8 42.91 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -70.33 -28.74 65.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.446 -1.409 . . . . 0.0 113.633 -174.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.67 -47.12 73.48 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.212 -1.555 . . . . 0.0 112.808 169.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -50.86 64.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.971 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.97 -28.44 4.61 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 121.416 -0.803 . . . . 0.0 111.682 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.26 169.63 17.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.935 1.294 . . . . 0.0 113.12 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 p -153.8 -171.84 4.02 Favored 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 119.626 -1.921 . . . . 0.0 110.347 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -72.92 -10.16 59.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 112.292 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.45 -25.89 65.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.167 -1.583 . . . . 0.0 112.662 168.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.87 -30.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 123.979 0.912 . . . . 0.0 113.304 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.93 135.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.316 -1.49 . . . . 0.0 109.793 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 90.51 3.35 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.704 -1.872 . . . . 0.0 110.59 -169.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -82.87 133.06 35.14 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.103 -0.998 . . . . 0.0 112.413 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 149.47 43.83 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.093 -1.629 . . . . 0.0 107.92 162.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -119.0 108.46 14.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.8 t0 52.84 48.13 23.14 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 123.148 1.451 . . . . 0.0 112.442 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.0 -31.74 3.35 Favored Glycine 0 C--N 1.354 1.55 0 O-C-N 120.317 -1.489 . . . . 0.0 115.592 -171.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -96.33 156.77 36.51 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 120.494 -1.592 . . . . 0.0 114.437 -163.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 110.42 3.02 Favored 'Trans proline' 0 C--N 1.331 -0.379 0 C-N-CA 122.812 2.341 . . . . 0.0 113.026 170.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.62 137.9 20.25 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 O-C-N 120.762 -1.211 . . . . 0.0 111.972 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -87.65 118.87 27.44 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.026 -1.671 . . . . 0.0 111.86 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.71 -15.99 59.92 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -69.38 -23.03 63.68 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.252 -1.53 . . . . 0.0 113.614 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -74.73 167.47 21.74 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 122.593 1.187 . . . . 0.0 113.717 -171.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -118.23 148.12 43.06 Favored Pre-proline 0 C--N 1.343 0.295 0 O-C-N 120.909 -1.119 . . . . 0.0 110.894 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.27 -5.17 16.55 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 CA-C-N 121.299 1.5 . . . . 0.0 112.715 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -81.36 -21.17 39.3 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 120.322 1.419 . . . . 0.0 111.622 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 m -83.08 -41.99 17.95 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.531 1.158 . . . . 0.0 109.559 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.2 mt -73.94 -53.67 9.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.303 1.441 . . . . 0.0 112.913 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.341 51.2 mt-10 77.29 68.37 0.05 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.998 2.119 . . . . 0.0 114.747 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -112.49 176.7 4.91 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.031 1.332 . . . . 0.0 109.594 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -99.86 -110.95 0.19 Allowed 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.939 1.296 . . . . 0.0 112.864 -169.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -144.07 159.55 42.43 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 120.306 -1.496 . . . . 0.0 107.6 165.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.29 38.06 8.62 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -89.06 160.64 16.97 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.867 0.841 . . . . 0.0 110.511 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 p -135.98 131.91 35.66 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 120.544 -1.347 . . . . 0.0 112.615 -160.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.0 tt -130.07 135.25 61.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 120.32 -1.488 . . . . 0.0 108.992 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -101.53 133.11 46.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.355 -1.466 . . . . 0.0 109.896 -174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.56 124.81 67.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.49 -1.382 . . . . 0.0 112.479 -170.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -104.63 163.31 12.57 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.79 1.236 . . . . 0.0 110.234 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.36 174.81 5.72 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.697 -1.252 . . . . 0.0 114.258 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.351 0.664 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 161.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 38.7 tt0 . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.232 0.539 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 149.17 40.83 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.581 -1.324 . . . . 0.0 113.154 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.79 154.2 39.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.742 1.217 . . . . 0.0 110.004 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -92.95 155.62 17.44 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.782 -1.198 . . . . 0.0 114.082 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -132.08 143.34 49.95 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 163.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -116.78 122.6 44.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 t -109.87 121.82 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 124.618 1.167 . . . . 0.0 110.083 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.0 111.55 19.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.083 -1.01 . . . . 0.0 113.155 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.09 166.07 51.33 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 120.161 -1.587 . . . . 0.0 113.98 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -6.2 47.38 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 120.872 -1.369 . . . . 0.0 114.192 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -85.4 -63.75 1.27 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.905 1.282 . . . . 0.0 111.034 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -5.92 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.468 2.307 . . . . 0.0 110.741 167.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.13 117.24 19.23 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 119.765 -1.835 . . . . 0.0 115.361 -167.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.11 121.43 63.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.74 -1.225 . . . . 0.0 109.388 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.17 144.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 125.778 1.631 . . . . 0.0 108.37 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -135.97 141.36 44.42 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 119.598 -1.939 . . . . 0.0 108.992 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -155.6 170.79 21.19 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.236 -0.915 . . . . 0.0 110.817 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -124.22 145.77 49.14 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 121.833 0.825 . . . . 0.0 112.049 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.73 153.63 31.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 125.437 1.495 . . . . 0.0 108.668 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -74.06 142.63 45.66 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.147 -1.596 . . . . 0.0 109.847 166.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 56.7 mtpt -72.32 -18.74 61.75 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.766 -1.834 . . . . 0.0 114.681 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -84.33 -11.14 56.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 120.516 -1.365 . . . . 0.0 114.321 -169.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -111.11 154.79 43.37 Favored Pre-proline 0 C--N 1.347 0.485 0 O-C-N 120.476 -1.39 . . . . 0.0 110.994 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.44 165.35 23.18 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 CA-C-N 121.563 1.594 . . . . 0.0 112.682 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -33.07 72.25 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -39.56 20.33 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.774 1.63 . . . . 0.0 114.284 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -50.74 72.6 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.334 1.054 . . . . 0.0 112.48 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.37 -46.89 63.18 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.507 -1.371 . . . . 0.0 112.033 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.6 mmt -54.68 -50.78 67.43 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.13 82.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.675 -1.266 . . . . 0.0 112.199 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.95 96.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.614 -1.304 . . . . 0.0 113.05 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -43.12 88.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.8 -1.187 . . . . 0.0 112.365 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -55.31 -58.54 7.31 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.131 0.972 . . . . 0.0 113.131 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -73.68 -17.07 61.18 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -76.89 -47.72 20.37 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.079 -1.638 . . . . 0.0 111.194 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.98 70.91 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.812 -1.18 . . . . 0.0 113.303 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 16.68 12.71 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 125.895 1.712 . . . . 0.0 112.386 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.08 -179.9 4.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 120.562 -1.552 . . . . 0.0 111.638 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.54 -179.29 7.45 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 119.506 -1.996 . . . . 0.0 108.992 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 ttm -77.11 -5.85 50.57 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.662 -1.273 . . . . 0.0 113.002 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -62.62 -31.19 71.98 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.558 -1.964 . . . . 0.0 113.991 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.43 -57.16 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.107 0.563 . . . . 0.0 110.756 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.48 113.48 24.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.404 -1.435 . . . . 0.0 112.076 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.62 128.83 56.17 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.763 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 146.88 27.8 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.225 1.01 . . . . 0.0 112.365 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -134.24 139.99 46.15 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 110.673 163.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -104.75 114.67 29.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.471 1.908 . . . . 0.0 107.532 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.75 -23.64 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.57 -29.73 0.25 Allowed Glycine 0 C--N 1.343 0.971 0 C-N-CA 126.639 2.066 . . . . 0.0 111.45 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -106.2 164.17 15.5 Favored Pre-proline 0 C--N 1.347 0.461 0 O-C-N 121.069 -1.254 . . . . 0.0 112.279 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.72 154.04 48.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.755 1.636 . . . . 0.0 111.752 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -125.69 166.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 125.284 1.434 . . . . 0.0 107.436 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -113.53 169.22 9.13 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.387 -1.446 . . . . 0.0 111.902 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.52 -24.07 16.25 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.553 1.941 . . . . 0.0 112.558 -170.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -70.74 -20.25 62.66 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.807 -1.183 . . . . 0.0 113.248 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -68.16 135.72 52.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.973 1.368 . . . . 0.0 113.41 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -94.87 133.96 25.67 Favored Pre-proline 0 C--N 1.343 0.314 0 C-N-CA 125.617 1.567 . . . . 0.0 109.927 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.72 -13.26 24.53 Favored 'Trans proline' 0 CA--C 1.52 -0.213 0 CA-C-N 122.943 2.087 . . . . 0.0 112.212 -171.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -65.59 -25.48 67.43 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 126.609 1.964 . . . . 0.0 112.95 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -79.38 -28.22 41.91 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.806 1.642 . . . . 0.0 112.667 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -89.03 -31.25 18.16 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -169.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.84 60.03 0.55 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.877 1.671 . . . . 0.0 112.325 -171.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.9 ptm -104.93 147.86 27.31 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.018 -1.051 . . . . 0.0 111.707 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.9 171.85 13.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 123.661 1.696 . . . . 0.0 111.486 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.97 134.1 46.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 123.315 1.531 . . . . 0.0 112.825 170.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.95 48.5 3.12 Favored Glycine 0 CA--C 1.498 -0.997 0 O-C-N 119.972 -1.705 . . . . 0.0 113.755 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -68.53 159.99 30.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.945 0.872 . . . . 0.0 112.233 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -114.88 82.7 1.78 Allowed 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.53 1.532 . . . . 0.0 110.491 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.06 132.19 42.14 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 122.552 1.168 . . . . 0.0 110.503 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.61 145.43 25.75 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 119.11 -2.244 . . . . 0.0 112.583 -173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.59 131.16 71.14 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 124.821 1.248 . . . . 0.0 111.659 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.86 145.18 37.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.587 167.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.23 -141.71 0.36 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.039 0.935 . . . . 0.0 111.87 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.355 0.805 0 O-C-N 120.004 -1.685 . . . . 0.0 110.471 173.46 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 . . . . . 0 N--CA 1.45 -0.464 0 CA-C-O 122.078 0.942 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -137.43 160.66 38.47 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.997 -1.69 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 pt -110.04 149.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.949 -1.094 . . . . 0.0 109.518 173.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -119.88 134.16 55.33 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.79 159.28 29.86 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.666 1.186 . . . . 0.0 111.529 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -128.91 97.32 4.61 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 124.366 1.066 . . . . 0.0 111.611 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.72 100.05 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.671 -1.268 . . . . 0.0 109.528 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.3 95.8 8.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.083 0.953 . . . . 0.0 110.925 -173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.5 134.01 13.55 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 120.579 -1.326 . . . . 0.0 114.526 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -60.79 -26.24 67.13 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.713 -1.463 . . . . 0.0 113.37 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.1 -9.74 42.77 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.224 -1.547 . . . . 0.0 113.058 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 95.45 2.05 0.04 OUTLIER 'General case' 0 C--N 1.355 0.839 0 C-N-CA 130.226 3.411 . . . . 0.0 112.58 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.75 107.84 18.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.358 -1.464 . . . . 0.0 110.839 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.71 130.52 54.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 124.857 1.263 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.64 144.86 36.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.773 -1.205 . . . . 0.0 112.817 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -93.87 121.55 35.45 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.503 -1.373 . . . . 0.0 112.562 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -106.27 168.65 9.0 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 110.255 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -150.33 141.17 22.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.547 -1.346 . . . . 0.0 109.517 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 tt -140.93 159.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -75.22 145.63 41.84 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.586 -1.946 . . . . 0.0 110.083 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -68.56 -27.06 65.74 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.427 -2.046 . . . . 0.0 113.219 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.39 -21.76 61.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 119.777 -1.827 . . . . 0.0 114.639 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -104.27 141.17 21.97 Favored Pre-proline 0 C--N 1.349 0.558 0 C-N-CA 124.316 1.046 . . . . 0.0 113.192 -166.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.32 161.18 38.2 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 123.081 2.521 . . . . 0.0 113.834 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.86 -45.08 37.54 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.172 1.389 . . . . 0.0 114.133 -167.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.7 -53.05 0.43 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 128.914 2.886 . . . . 0.0 117.861 -174.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -39.5 92.58 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.261 -1.524 . . . . 0.0 113.743 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.2 -43.52 81.9 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.976 -1.077 . . . . 0.0 111.392 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.97 -52.98 62.25 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 112.831 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.55 93.29 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.965 -1.085 . . . . 0.0 112.561 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.03 95.44 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.542 -1.349 . . . . 0.0 113.956 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.2 -41.76 99.2 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.126 -1.609 . . . . 0.0 113.203 171.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.5 -49.79 73.68 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.557 1.071 . . . . 0.0 113.71 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.99 -53.72 52.07 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.129 1.372 . . . . 0.0 113.557 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -69.06 -45.29 70.75 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.84 -1.163 . . . . 0.0 113.654 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -24.4 62.01 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.355 -0.84 . . . . 0.0 113.136 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.02 37.1 11.78 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 121.194 -0.941 . . . . 0.0 112.4 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -120.82 163.31 18.35 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.836 0.854 . . . . 0.0 110.145 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -120.26 148.49 43.63 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.451 -1.405 . . . . 0.0 112.043 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -14.07 62.39 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -174.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -49.38 -58.88 4.32 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.03 -1.669 . . . . 0.0 113.534 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.6 -11.73 10.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.832 1.253 . . . . 0.0 113.401 -170.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -105.49 103.61 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.038 -1.039 . . . . 0.0 110.406 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -87.25 114.54 23.94 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.331 -1.481 . . . . 0.0 110.691 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -97.66 137.5 36.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.007 0.923 . . . . 0.0 109.302 169.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -141.75 140.24 33.05 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.184 -0.947 . . . . 0.0 110.073 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -128.01 140.68 51.83 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t0 54.2 33.03 17.16 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.182 1.468 . . . . 0.0 112.331 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.06 -24.71 6.61 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.384 1.469 . . . . 0.0 114.785 -171.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -117.15 171.4 4.93 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 125.846 1.659 . . . . 0.0 114.068 -155.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -71.11 114.97 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.753 2.302 . . . . 0.0 113.424 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -87.57 153.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 C-N-CA 125.345 1.458 . . . . 0.0 111.035 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.88 137.18 34.29 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.95 -1.719 . . . . 0.0 112.167 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.77 -4.48 46.58 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -174.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -116.9 12.17 14.63 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 120.586 -1.322 . . . . 0.0 114.391 -158.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.94 -152.66 0.21 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.524 -1.36 . . . . 0.0 110.131 170.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.98 140.07 13.47 Favored Pre-proline 0 C--N 1.346 0.433 0 O-C-N 119.562 -1.961 . . . . 0.0 108.949 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.43 -25.64 55.84 Favored 'Trans proline' 0 CA--C 1.516 -0.376 0 CA-C-N 123.872 2.418 . . . . 0.0 113.789 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -77.77 -9.07 58.82 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.929 -1.107 . . . . 0.0 112.988 171.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -83.01 -44.77 14.85 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.354 -1.466 . . . . 0.0 109.794 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.45 -31.36 62.23 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.254 -0.904 . . . . 0.0 112.361 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.313 34.8 mt-10 82.85 -50.11 0.17 Allowed 'General case' 0 C--N 1.351 0.633 0 C-N-CA 128.467 2.707 . . . . 0.0 112.289 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.7 ttp -110.62 104.62 13.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 121.655 -0.653 . . . . 0.0 109.54 168.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -133.17 -15.23 2.57 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 123.108 1.432 . . . . 0.0 110.215 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.6 135.34 57.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.286 -2.134 . . . . 0.0 115.238 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.32 46.95 3.66 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 121.016 -1.052 . . . . 0.0 111.262 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 167.5 12.46 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.79 1.236 . . . . 0.0 112.594 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -148.0 58.69 1.11 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.831 1.652 . . . . 0.0 109.035 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.4 tt -77.34 120.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.7 -1.875 . . . . 0.0 113.338 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.82 133.81 33.81 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 119.455 -2.028 . . . . 0.0 110.849 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.29 124.93 71.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-O 122.786 1.279 . . . . 0.0 111.228 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -95.49 154.25 17.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 119.847 -1.783 . . . . 0.0 110.958 171.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -110.78 116.12 30.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.142 1.377 . . . . 0.0 107.867 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.346 0.417 0 CA-C-O 122.722 1.249 . . . . 0.0 111.473 175.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -157.24 148.86 22.23 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.712 -1.868 . . . . 0.0 111.594 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -101.07 148.78 6.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 120.738 -1.226 . . . . 0.0 111.851 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -93.26 135.73 34.19 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.036 -1.04 . . . . 0.0 110.173 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.35 132.62 55.36 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.545 -0.722 . . . . 0.0 109.246 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -107.46 121.37 44.48 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.549 1.139 . . . . 0.0 109.738 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.68 108.85 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 125.084 1.354 . . . . 0.0 109.01 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.0 112.98 25.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.86 -1.15 . . . . 0.0 110.175 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 124.93 8.32 Favored Glycine 0 C--N 1.347 1.163 0 O-C-N 120.555 -1.341 . . . . 0.0 111.347 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -67.48 -11.83 58.84 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.15 -1.206 . . . . 0.0 114.101 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -46.08 -23.19 0.29 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 127.668 2.387 . . . . 0.0 116.087 156.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 100.43 44.95 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 C-N-CA 130.238 3.415 . . . . 0.0 111.737 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.0 161.26 38.1 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.496 -1.378 . . . . 0.0 110.481 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.84 137.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.958 -1.089 . . . . 0.0 110.118 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.29 147.1 18.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -133.99 144.16 48.58 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.519 -1.988 . . . . 0.0 110.089 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -146.01 176.53 9.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.6 0.76 . . . . 0.0 109.031 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 137.63 37.24 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 121.078 -1.014 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 tt -123.51 146.01 29.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 121.158 -0.964 . . . . 0.0 111.604 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.11 149.44 41.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.216 1.406 . . . . 0.0 110.463 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.7 -39.08 93.04 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 119.785 -1.822 . . . . 0.0 115.054 -169.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -17.19 58.51 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.9 p -91.49 130.47 39.28 Favored Pre-proline 0 C--N 1.35 0.62 0 O-C-N 120.058 -1.651 . . . . 0.0 112.937 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.96 157.4 54.78 Favored 'Trans proline' 0 CA--C 1.519 -0.235 0 C-N-CA 122.504 2.136 . . . . 0.0 113.463 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.43 -38.61 81.35 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.369 1.068 . . . . 0.0 113.065 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -50.79 -38.35 47.87 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.298 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -58.86 -46.04 88.69 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.771 -1.206 . . . . 0.0 113.643 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.76 -48.36 38.98 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.709 -1.245 . . . . 0.0 111.186 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -57.98 -44.88 87.38 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.864 -1.148 . . . . 0.0 113.645 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.65 -44.79 89.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.869 1.267 . . . . 0.0 111.609 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.58 78.89 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.022 -1.049 . . . . 0.0 112.796 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.6 -50.3 65.61 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.454 1.102 . . . . 0.0 112.975 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -56.57 -51.16 69.67 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.665 -1.272 . . . . 0.0 114.054 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -67.6 -40.37 84.78 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.24 1.016 . . . . 0.0 111.98 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -67.9 -38.5 83.05 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.886 -1.759 . . . . 0.0 113.666 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.57 85.13 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.296 -1.502 . . . . 0.0 111.512 171.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.14 48.38 1.24 Allowed Glycine 0 CA--C 1.497 -1.075 0 C-N-CA 124.54 1.067 . . . . 0.0 110.934 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -137.11 161.98 34.65 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.418 -1.048 . . . . 0.0 110.21 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 m -105.85 163.06 13.02 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.09 -14.71 61.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.986 -1.696 . . . . 0.0 111.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -54.25 -50.92 66.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 127.341 2.256 . . . . 0.0 115.021 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -86.66 -11.78 11.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.05 -1.032 . . . . 0.0 113.564 -169.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.05 130.43 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.498 1.119 . . . . 0.0 109.209 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -114.19 149.44 35.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.869 -1.769 . . . . 0.0 108.114 170.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.74 153.77 30.41 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -144.82 153.59 41.79 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.083 0.953 . . . . 0.0 109.681 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -133.4 127.43 33.41 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.022 1.329 . . . . 0.0 108.194 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.45 29.53 5.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.52 -35.7 4.88 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 120.049 -1.657 . . . . 0.0 113.427 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -94.17 162.34 26.8 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 125.251 1.42 . . . . 0.0 112.731 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.35 159.25 53.61 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 CA-C-N 122.435 1.905 . . . . 0.0 110.389 157.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 tp -132.71 147.89 31.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 121.565 -0.71 . . . . 0.0 109.432 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.41 147.0 23.98 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.507 -1.37 . . . . 0.0 110.213 171.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 4.75 51.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.816 1.647 . . . . 0.0 112.294 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -77.45 -57.88 3.58 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.772 -1.205 . . . . 0.0 112.426 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 136.3 57.74 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.7 161.79 54.95 Favored Pre-proline 0 C--N 1.346 0.425 0 C-N-CA 125.602 1.561 . . . . 0.0 112.649 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.27 -9.2 22.95 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 121.786 1.658 . . . . 0.0 112.052 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -62.59 -35.36 79.29 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 125.548 1.539 . . . . 0.0 111.993 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 m -86.01 -38.51 17.81 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.948 1.299 . . . . 0.0 112.259 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.56 -36.58 65.64 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 76.82 -5.81 2.12 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.852 2.168 . . . . 0.0 116.852 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.38 169.37 9.07 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -86.97 155.71 20.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.159 1.457 . . . . 0.0 113.813 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.59 57.23 1.56 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.318 -2.114 . . . . 0.0 115.614 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.79 41.69 0.09 OUTLIER Glycine 0 CA--C 1.497 -1.074 0 O-C-N 120.864 -1.148 . . . . 0.0 110.65 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.46 163.72 15.81 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 122.135 0.969 . . . . 0.0 113.393 -167.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -117.5 113.84 22.59 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.511 1.524 . . . . 0.0 112.635 -171.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -111.38 143.29 21.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.816 -1.178 . . . . 0.0 108.735 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -101.6 148.89 24.69 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.885 -1.76 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.35 134.67 65.87 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.508 1.523 . . . . 0.0 109.601 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.11 120.29 31.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 172.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -106.36 173.87 6.13 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.329 -1.482 . . . . 0.0 113.0 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--N 1.348 0.521 0 C-N-CA 125.344 1.458 . . . . 0.0 113.532 160.582 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 123.948 1.832 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -96.73 134.87 39.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 120.116 -1.615 . . . . 0.0 111.747 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 pt -105.51 152.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 C-N-CA 124.297 1.039 . . . . 0.0 110.406 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.88 124.37 36.82 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.349 -0.844 . . . . 0.0 111.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.42 125.64 54.46 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -108.69 140.55 41.93 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.962 -1.086 . . . . 0.0 110.598 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.42 122.36 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 123.929 0.892 . . . . 0.0 108.969 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.55 98.18 7.6 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.39 -0.819 . . . . 0.0 110.511 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.93 137.73 19.76 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 120.065 -1.647 . . . . 0.0 114.749 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -67.57 -28.98 68.23 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.703 -1.469 . . . . 0.0 111.409 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.04 21.36 0.33 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 113.197 166.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 75.97 -8.14 1.68 Allowed 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.73 2.412 . . . . 0.0 115.858 166.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.06 30.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 120.963 -1.086 . . . . 0.0 112.914 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.36 124.01 70.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.99 161.91 39.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 121.152 -0.968 . . . . 0.0 108.959 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -149.79 130.95 14.48 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.517 -1.365 . . . . 0.0 113.064 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -124.82 162.76 23.62 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.468 1.107 . . . . 0.0 111.17 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -119.43 136.29 54.37 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.065 0.946 . . . . 0.0 109.543 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -139.16 151.37 23.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.85 -1.156 . . . . 0.0 109.085 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -66.34 128.47 36.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.193 -1.567 . . . . 0.0 109.96 167.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.7 -32.26 73.72 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.76 51.4 2.13 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 120.073 -1.642 . . . . 0.0 112.446 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.0 p -141.63 149.75 54.87 Favored Pre-proline 0 C--N 1.351 0.641 0 O-C-N 120.531 -1.356 . . . . 0.0 108.626 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.82 146.13 26.08 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 121.916 1.744 . . . . 0.0 112.536 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.11 -29.32 63.96 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.28 -0.888 . . . . 0.0 112.901 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.29 -26.93 61.64 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.931 -1.731 . . . . 0.0 113.8 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.17 -44.88 94.69 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.471 -1.393 . . . . 0.0 112.185 170.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.5 -47.92 74.34 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.057 0.943 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.0 mmt -52.68 -52.02 57.75 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.06 -48.04 83.59 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.331 1.052 . . . . 0.0 112.729 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.43 90.01 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.0 -1.687 . . . . 0.0 113.489 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.76 -48.91 67.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.643 -1.286 . . . . 0.0 112.615 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.34 -38.53 90.42 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.292 -1.505 . . . . 0.0 113.671 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -64.14 -23.13 67.2 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 173.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -44.08 9.33 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.361 -1.462 . . . . 0.0 112.161 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 119.85 -1.781 . . . . 0.0 114.394 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 60.59 1.63 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 121.365 -0.835 . . . . 0.0 111.684 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.34 175.24 10.94 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -104.1 138.03 41.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 120.77 -1.206 . . . . 0.0 111.07 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.22 -37.93 89.22 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.631 -1.293 . . . . 0.0 112.412 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -37.16 -44.26 0.55 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 129.579 3.152 . . . . 0.0 116.991 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.85 -4.23 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.961 -1.087 . . . . 0.0 113.654 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.7 t -109.34 81.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.734 -1.229 . . . . 0.0 109.109 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -90.76 99.93 12.87 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.486 -2.009 . . . . 0.0 114.65 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.58 143.8 46.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.486 1.915 . . . . 0.0 113.189 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -138.46 142.27 39.44 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.553 1.141 . . . . 0.0 108.128 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -111.87 125.65 54.25 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 61.05 25.72 15.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 123.887 1.803 . . . . 0.0 112.194 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.65 1.14 76.26 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.148 -1.595 . . . . 0.0 115.594 -170.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -113.54 155.46 44.79 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 119.701 1.751 . . . . 0.0 112.592 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.52 157.89 44.41 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.176 1.917 . . . . 0.0 110.821 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.97 157.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 O-C-N 121.057 -1.027 . . . . 0.0 109.532 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.95 127.44 32.87 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.558 -1.339 . . . . 0.0 110.605 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.82 -29.54 50.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.385 1.088 . . . . 0.0 111.818 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.49 0.38 42.69 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.336 -1.477 . . . . 0.0 111.12 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -174.35 4.68 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.267 1.508 . . . . 0.0 114.28 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.1 p -125.25 133.52 24.92 Favored Pre-proline 0 C--N 1.344 0.341 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.931 -164.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.09 1.6 8.52 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.355 2.037 . . . . 0.0 112.182 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 p -75.2 -41.88 56.81 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 125.949 1.7 . . . . 0.0 110.482 163.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -60.16 -49.21 78.55 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 122.364 1.078 . . . . 0.0 111.875 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.15 -19.32 62.44 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 55.27 51.45 13.1 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.845 1.658 . . . . 0.0 115.247 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -94.49 150.82 19.88 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 120.495 -1.378 . . . . 0.0 112.041 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.8 -99.5 0.14 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.49 1.516 . . . . 0.0 111.876 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.47 156.69 45.21 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.266 -1.521 . . . . 0.0 108.015 166.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 60.92 1.33 Allowed Glycine 0 CA--C 1.497 -1.066 0 O-C-N 121.358 -0.839 . . . . 0.0 113.577 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.77 154.46 38.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 122.021 -0.694 . . . . 0.0 109.803 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 p -142.13 81.14 1.74 Allowed 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 124.618 1.167 . . . . 0.0 108.344 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.79 123.76 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 122.454 1.121 . . . . 0.0 110.178 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.92 133.87 35.67 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 119.705 -1.872 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.36 125.15 74.16 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 O-C-N 120.512 -1.367 . . . . 0.0 110.797 -171.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 109.35 21.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 170.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.02 169.82 12.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.964 -1.085 . . . . 0.0 108.874 166.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--N 1.344 0.363 0 O-C-N 119.214 -2.179 . . . . 0.0 111.256 167.251 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -139.28 148.37 42.9 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 pt -103.64 170.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.744 1.618 . . . . 0.0 110.298 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -122.99 133.57 54.36 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 121.058 -1.026 . . . . 0.0 111.166 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.76 130.5 55.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -114.35 111.07 20.88 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.851 -1.156 . . . . 0.0 109.144 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.06 110.15 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 O-C-N 121.066 -1.021 . . . . 0.0 109.834 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.51 120.34 28.71 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.998 -1.064 . . . . 0.0 111.142 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.48 144.68 19.93 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 120.169 -1.582 . . . . 0.0 113.885 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -68.63 -28.98 67.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.116 -1.226 . . . . 0.0 113.603 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -94.96 67.61 3.13 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 119.692 -1.88 . . . . 0.0 109.693 160.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 74.17 -46.08 0.61 Allowed 'General case' 0 C--N 1.341 0.202 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 156.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.58 131.74 40.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.05 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 124.526 1.131 . . . . 0.0 108.836 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.63 128.14 75.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.475 -1.391 . . . . 0.0 108.801 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -106.81 138.32 43.21 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.141 -1.599 . . . . 0.0 112.654 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -121.1 170.22 9.76 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.57 1.176 . . . . 0.0 111.778 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -147.87 125.13 11.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 108.399 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -147.59 155.34 10.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 O-C-N 120.862 -1.149 . . . . 0.0 109.41 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -75.44 163.45 27.4 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.724 -1.86 . . . . 0.0 111.139 169.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.92 -13.83 60.26 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.489 -1.382 . . . . 0.0 113.626 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.99 -18.86 21.44 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.271 1.428 . . . . 0.0 113.619 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -102.87 128.59 27.49 Favored Pre-proline 0 C--N 1.345 0.4 0 O-C-N 120.694 -1.253 . . . . 0.0 107.738 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.25 158.1 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 122.302 1.858 . . . . 0.0 112.263 -162.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.71 -40.89 80.61 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.25 1.42 . . . . 0.0 112.175 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -52.88 -34.86 56.65 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.11 -44.25 84.87 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.173 -1.579 . . . . 0.0 111.568 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.98 -46.11 90.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.698 1.199 . . . . 0.0 111.965 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmt -55.16 -59.36 4.88 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -60.95 -39.27 88.89 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.542 -1.348 . . . . 0.0 113.546 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.69 83.58 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.678 -1.264 . . . . 0.0 113.896 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.404 -1.435 . . . . 0.0 113.496 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.86 -56.21 23.29 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.524 1.511 . . . . 0.0 112.969 168.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.65 -43.5 84.96 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.886 1.274 . . . . 0.0 113.121 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -75.31 -36.4 61.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.895 -1.753 . . . . 0.0 115.683 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -46.34 46.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.248 -1.533 . . . . 0.0 111.678 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.34 35.34 33.78 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.132 -0.98 . . . . 0.0 111.04 -173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.1 167.25 15.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.488 1.115 . . . . 0.0 111.511 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -106.83 116.32 31.72 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 120.814 -1.178 . . . . 0.0 110.882 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.4 tpp -69.61 -14.15 62.68 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.063 -1.648 . . . . 0.0 113.76 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -69.56 -11.98 61.27 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.349 -1.47 . . . . 0.0 114.749 168.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.68 15.36 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 119.958 -1.714 . . . . 0.0 112.285 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.86 132.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 109.087 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -143.14 150.11 39.0 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.648 -1.282 . . . . 0.0 108.612 165.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -128.51 152.71 47.95 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.072 0.949 . . . . 0.0 110.698 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -157.83 158.78 35.82 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 121.147 -0.971 . . . . 0.0 113.215 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -135.1 136.54 42.04 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 47.03 44.51 15.06 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.23 1.412 . . . . 0.0 114.662 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.84 -31.26 3.37 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.071 -1.643 . . . . 0.0 115.731 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -96.13 138.98 21.57 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 124.722 1.209 . . . . 0.0 114.064 -163.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.61 138.39 29.31 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.497 2.132 . . . . 0.0 111.743 169.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 tt -106.54 162.09 5.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 C-N-CA 123.892 0.877 . . . . 0.0 112.335 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -99.6 121.7 41.58 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.603 -1.311 . . . . 0.0 109.418 171.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.49 11.99 4.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.854 -1.779 . . . . 0.0 114.549 -175.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -102.64 2.24 35.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.844 1.658 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.8 171.11 14.91 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.053 -1.03 . . . . 0.0 109.472 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 p -132.47 148.53 69.99 Favored Pre-proline 0 N--CA 1.473 0.705 0 O-C-N 120.33 -1.481 . . . . 0.0 112.637 -172.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.15 1.74 8.39 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 121.87 1.714 . . . . 0.0 113.29 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.3 p -89.05 -31.02 18.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.266 1.394 . . . . 0.0 110.728 164.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -66.42 -34.32 77.69 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.156 0.983 . . . . 0.0 113.62 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.41 -69.13 0.79 Allowed 'General case' 0 CA--C 1.513 -0.462 0 O-C-N 120.147 -1.595 . . . . 0.0 112.362 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 84.36 48.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.733 2.413 . . . . 0.0 112.674 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -145.59 -5.58 0.64 Allowed 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.712 -1.242 . . . . 0.0 112.698 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 46.32 1.35 Allowed 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 119.913 -1.742 . . . . 0.0 114.226 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.95 -39.53 34.31 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.219 -2.175 . . . . 0.0 111.603 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.93 92.92 0.43 Allowed Glycine 0 C--N 1.349 1.255 0 C-N-CA 124.4 1.0 . . . . 0.0 111.538 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.38 163.16 19.71 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.035 0.921 . . . . 0.0 111.474 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -152.72 51.62 0.76 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 127.21 2.204 . . . . 0.0 109.373 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 138.26 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 119.405 -2.059 . . . . 0.0 113.788 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.06 151.49 19.41 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 118.556 -2.59 . . . . 0.0 111.942 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.56 129.07 72.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-O 123.36 1.553 . . . . 0.0 112.098 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -87.45 134.35 33.61 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.391 -1.443 . . . . 0.0 108.141 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -136.96 154.26 50.48 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.907 1.283 . . . . 0.0 108.619 -167.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.707 0 O-C-N 120.348 -1.47 . . . . 0.0 113.564 170.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 122.448 1.118 . . . . 0.0 112.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 158.01 42.51 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.491 -2.006 . . . . 0.0 110.567 -170.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 pt -136.95 164.01 31.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 O-C-N 121.249 -0.907 . . . . 0.0 109.503 171.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -104.38 150.56 24.4 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.929 -1.107 . . . . 0.0 111.704 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.48 142.73 47.29 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -103.34 134.97 45.83 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.752 1.221 . . . . 0.0 109.74 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.93 113.61 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.414 -0.804 . . . . 0.0 108.838 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -87.85 92.75 9.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.64 121.63 5.56 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.068 -1.02 . . . . 0.0 111.646 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.7 -17.59 64.63 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -82.05 10.64 6.26 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.314 -1.491 . . . . 0.0 112.815 170.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 m120 80.39 7.44 1.49 Allowed 'General case' 0 C--N 1.352 0.68 0 C-N-CA 128.713 2.805 . . . . 0.0 112.643 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.68 70.13 10.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 122.621 1.2 . . . . 0.0 112.255 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.9 t -77.56 136.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 C-N-CA 125.427 1.491 . . . . 0.0 111.244 -176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.22 159.16 22.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 O-C-N 120.189 -1.569 . . . . 0.0 108.91 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 153.48 41.49 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 119.687 -1.883 . . . . 0.0 109.918 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -153.73 154.42 34.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.281 -0.887 . . . . 0.0 111.477 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -95.97 132.43 41.31 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.208 1.004 . . . . 0.0 111.803 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 tt -112.31 144.44 20.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 109.316 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -80.19 125.53 29.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.579 -1.326 . . . . 0.0 108.09 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -75.72 -7.34 54.12 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.437 -2.039 . . . . 0.0 116.338 -156.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.91 -47.5 71.56 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.22 -1.55 . . . . 0.0 113.315 167.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 p -74.2 140.68 76.72 Favored Pre-proline 0 C--N 1.348 0.54 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -163.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.21 172.73 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.484 2.123 . . . . 0.0 111.424 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.92 -28.52 60.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -47.92 -46.88 32.37 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 -172.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -34.68 77.72 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.662 -1.274 . . . . 0.0 112.328 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.72 -49.0 19.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.736 -1.228 . . . . 0.0 110.875 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -63.41 1.13 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.98 1.712 . . . . 0.0 114.172 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -71.87 -27.21 62.71 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.073 -1.017 . . . . 0.0 112.718 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.11 92.31 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.631 -1.293 . . . . 0.0 112.671 167.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.22 -42.06 98.96 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 119.77 -1.831 . . . . 0.0 113.122 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -54.68 -57.37 11.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.993 -1.067 . . . . 0.0 113.73 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -75.98 -26.12 56.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -82.45 -19.63 38.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.268 -2.145 . . . . 0.0 113.356 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.51 -42.78 13.26 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.856 -1.152 . . . . 0.0 112.521 169.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.34 42.46 1.75 Allowed Glycine 0 C--N 1.348 1.248 0 C-N-CA 125.054 1.311 . . . . 0.0 112.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.32 171.79 13.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.563 -0.963 . . . . 0.0 111.809 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 m -118.82 143.58 46.85 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.57 -1.331 . . . . 0.0 111.887 -171.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -26.47 67.03 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.556 -1.34 . . . . 0.0 113.192 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -49.28 -48.79 45.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 168.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.96 -32.72 8.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.572 -1.33 . . . . 0.0 111.963 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.39 120.87 18.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.749 -1.22 . . . . 0.0 111.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.19 99.75 7.85 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 119.425 -2.047 . . . . 0.0 108.481 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -101.98 145.17 29.65 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.754 -1.217 . . . . 0.0 111.439 -174.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 147.24 39.41 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 120.732 -1.23 . . . . 0.0 109.806 172.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -128.66 142.03 51.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 63.77 22.11 12.94 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 123.433 1.587 . . . . 0.0 111.396 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -18.36 22.39 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 120.083 -1.636 . . . . 0.0 114.361 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -113.13 164.72 14.84 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 126.137 1.775 . . . . 0.0 113.364 -161.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.93 117.3 5.01 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 122.316 2.011 . . . . 0.0 112.803 167.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -94.36 144.75 9.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 C-N-CA 125.555 1.542 . . . . 0.0 112.589 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.23 123.43 41.01 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.45 -1.406 . . . . 0.0 112.139 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -71.72 -2.75 18.52 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -85.54 -22.29 28.18 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.831 1.252 . . . . 0.0 111.731 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 122.17 20.0 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.688 -1.257 . . . . 0.0 109.638 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.6 p -79.22 147.37 68.94 Favored Pre-proline 0 C--N 1.347 0.488 0 O-C-N 119.924 -1.735 . . . . 0.0 111.206 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -70.49 -16.14 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 CA-C-N 123.415 2.255 . . . . 0.0 112.781 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -78.48 -24.72 45.76 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.541 1.064 . . . . 0.0 112.606 169.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.2 m -72.52 -41.71 65.58 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.159 -1.588 . . . . 0.0 110.604 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.32 -35.44 79.43 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.734 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 68.22 44.53 1.37 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.244 1.418 . . . . 0.0 113.843 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 52.0 mtm -95.91 -177.71 4.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.691 -1.255 . . . . 0.0 112.637 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -120.31 -176.57 3.24 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.43 1.092 . . . . 0.0 113.718 -162.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.97 86.53 7.37 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.121 -1.612 . . . . 0.0 113.217 -172.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.21 64.95 0.08 OUTLIER Glycine 0 C--N 1.346 1.118 0 O-C-N 121.036 -1.04 . . . . 0.0 111.59 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.99 160.86 16.16 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.843 . . . . 0.0 111.857 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -133.0 114.26 13.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.1 -1.625 . . . . 0.0 113.947 -169.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -114.27 138.64 43.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.655 -1.278 . . . . 0.0 111.679 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.84 138.52 31.92 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.094 -1.629 . . . . 0.0 111.748 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.96 116.35 42.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 122.605 1.193 . . . . 0.0 110.953 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.02 123.9 33.77 Favored 'General case' 0 N--CA 1.442 -0.867 0 O-C-N 121.104 -0.998 . . . . 0.0 108.663 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -136.36 137.59 40.73 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.469 0 O-C-N 121.597 -0.69 . . . . 0.0 109.258 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -139.08 159.81 41.26 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.18 142.21 42.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 C-N-CA 123.848 0.859 . . . . 0.0 110.686 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -86.44 123.12 31.32 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 112.721 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.47 140.01 40.04 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.552 1.541 . . . . 0.0 109.795 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -115.99 114.72 24.99 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.041 -1.037 . . . . 0.0 110.034 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.94 115.05 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 O-C-N 120.419 -1.425 . . . . 0.0 109.56 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.84 117.38 33.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.51 0.724 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.08 147.51 18.61 Favored Glycine 0 C--N 1.347 1.141 0 O-C-N 120.659 -1.276 . . . . 0.0 112.981 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.82 -19.64 65.78 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.502 -1.587 . . . . 0.0 112.692 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.07 -7.1 53.93 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 130.397 3.479 . . . . 0.0 113.507 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.265 27.0 m120 75.42 21.98 1.72 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.327 2.251 . . . . 0.0 114.839 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.07 131.8 35.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.56 -1.338 . . . . 0.0 110.392 158.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.55 117.34 23.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.442 0 O-C-N 120.779 -1.2 . . . . 0.0 109.273 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.26 147.11 32.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 120.51 -1.368 . . . . 0.0 111.037 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -115.9 134.73 54.68 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.044 -1.035 . . . . 0.0 110.26 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -141.37 177.68 7.94 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -134.35 144.26 48.15 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.35 -1.469 . . . . 0.0 112.312 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 tt -116.0 146.21 20.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 C-N-CA 124.418 1.087 . . . . 0.0 108.499 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -80.65 136.08 36.15 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.989 -1.695 . . . . 0.0 109.969 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.32 -23.37 62.42 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -167.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -75.83 -20.6 58.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 120.735 -1.228 . . . . 0.0 113.814 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -93.14 128.43 43.11 Favored Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 120.542 -1.349 . . . . 0.0 109.49 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.52 161.5 42.14 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 121.983 1.789 . . . . 0.0 112.933 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.64 -30.17 66.72 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -171.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -46.61 -44.79 18.55 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 126.9 2.08 . . . . 0.0 114.762 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -49.44 76.98 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.573 1.149 . . . . 0.0 111.933 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.54 -53.4 52.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.772 0.829 . . . . 0.0 112.105 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -53.63 55.95 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.998 1.319 . . . . 0.0 114.018 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -73.3 -32.23 64.49 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.756 -1.215 . . . . 0.0 112.23 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.479 -1.388 . . . . 0.0 113.197 169.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.82 -46.2 88.2 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.84 -1.162 . . . . 0.0 112.2 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -55.5 -49.33 72.85 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.21 -44.71 71.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -79.18 -32.07 44.04 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 121.245 -0.909 . . . . 0.0 113.322 -173.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.16 61.32 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.682 -1.261 . . . . 0.0 110.881 166.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 42.68 3.4 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.267 -0.896 . . . . 0.0 114.483 164.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -118.84 0.31 Allowed 'General case' 0 C--N 1.344 0.341 0 C-N-CA 124.454 1.102 . . . . 0.0 110.774 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -173.19 162.02 4.39 Favored 'General case' 0 CA--C 1.504 -0.816 0 O-C-N 119.782 -1.824 . . . . 0.0 106.582 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 tpt -77.15 -26.95 53.59 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 122.225 1.012 . . . . 0.0 111.942 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -40.42 -68.36 0.18 Allowed 'General case' 0 C--N 1.347 0.462 0 C-N-CA 127.486 2.314 . . . . 0.0 115.387 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.15 9.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.393 0 O-C-N 120.216 -1.552 . . . . 0.0 114.892 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.38 89.91 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.593 1.557 . . . . 0.0 108.866 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -92.51 87.36 5.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 119.392 -2.067 . . . . 0.0 112.459 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -81.98 131.31 35.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.539 1.535 . . . . 0.0 113.517 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -136.85 140.82 42.67 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.367 -1.458 . . . . 0.0 110.02 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -126.51 133.03 51.25 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.458 -1.401 . . . . 0.0 108.094 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.73 7.4 4.49 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.974 1.31 . . . . 0.0 112.073 -167.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.42 -15.14 63.83 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 120.135 -1.603 . . . . 0.0 112.511 -168.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -101.96 161.08 24.54 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.603 1.561 . . . . 0.0 112.665 -168.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -71.49 156.69 57.79 Favored 'Trans proline' 0 C--N 1.331 -0.367 0 CA-C-N 122.202 1.822 . . . . 0.0 111.494 167.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.2 143.9 28.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 CA-C-O 122.001 0.905 . . . . 0.0 110.533 -170.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.46 111.23 5.85 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 125.341 1.456 . . . . 0.0 113.246 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.35 -32.14 73.62 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.124 -1.61 . . . . 0.0 114.202 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.92 81.98 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.9 159.24 33.0 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 124.15 1.929 . . . . 0.0 115.838 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 p -91.91 159.34 38.21 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 127.123 2.169 . . . . 0.0 107.36 169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -73.26 -4.24 15.07 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 CA-C-N 122.774 2.026 . . . . 0.0 113.236 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -75.02 -31.95 61.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.048 0.939 . . . . 0.0 111.798 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -54.51 -35.48 63.21 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.302 -1.499 . . . . 0.0 113.624 174.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.1 mt -98.17 1.52 47.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.678 1.191 . . . . 0.0 112.707 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 46.32 60.81 3.05 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.743 1.617 . . . . 0.0 114.525 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.77 170.57 11.61 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.894 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -132.61 -90.1 0.41 Allowed 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.648 1.179 . . . . 0.0 109.624 -161.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.27 171.85 7.66 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.481 0.712 . . . . 0.0 109.749 156.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.91 17.38 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 124.43 1.014 . . . . 0.0 111.941 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.26 101.64 0.44 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.617 1.967 . . . . 0.0 115.117 -166.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.6 p -80.65 103.32 10.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.922 -1.112 . . . . 0.0 111.745 176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 tt -101.32 120.7 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -90.41 115.95 27.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 123.332 1.539 . . . . 0.0 110.294 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -110.41 110.25 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.031 -1.668 . . . . 0.0 111.238 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -85.04 91.43 8.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.576 -1.328 . . . . 0.0 109.29 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -85.6 131.52 34.34 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.345 -0.847 . . . . 0.0 110.388 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -169.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -151.63 162.48 40.91 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.205 -1.559 . . . . 0.0 115.134 -160.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 pt -102.6 166.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 124.509 1.124 . . . . 0.0 109.031 168.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.03 97.03 3.63 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.004 -1.06 . . . . 0.0 109.972 -165.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.39 121.72 25.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.882 -1.136 . . . . 0.0 111.073 -172.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -109.24 95.59 5.73 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.075 1.35 . . . . 0.0 107.661 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 t -101.52 114.32 40.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.04 -1.037 . . . . 0.0 109.988 -172.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.53 103.4 13.08 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.276 -0.89 . . . . 0.0 111.99 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.22 137.34 16.28 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.838 -1.788 . . . . 0.0 113.675 173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -27.96 65.4 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.377 1.471 . . . . 0.0 112.904 175.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.23 22.64 0.21 Allowed 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.79 2.436 . . . . 0.0 114.045 172.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 66.53 22.99 10.51 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 126.689 1.996 . . . . 0.0 113.576 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.37 87.31 4.1 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.779 -1.201 . . . . 0.0 110.618 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -99.32 113.54 34.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 120.916 -1.115 . . . . 0.0 108.988 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -127.87 146.16 33.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.93 -1.106 . . . . 0.0 111.793 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -118.95 134.62 55.07 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.816 1.246 . . . . 0.0 111.459 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.16 159.25 41.32 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.593 0.757 . . . . 0.0 109.801 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -128.9 134.09 48.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.138 -1.601 . . . . 0.0 113.763 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -121.49 148.8 24.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.234 -1.541 . . . . 0.0 109.231 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.37 146.53 40.78 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.077 -1.639 . . . . 0.0 113.212 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -80.27 42.12 0.56 Allowed 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.608 1.706 . . . . 0.0 115.608 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -132.77 -43.22 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.839 1.655 . . . . 0.0 109.719 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -74.36 125.66 89.66 Favored Pre-proline 0 C--N 1.35 0.59 0 C-N-CA 125.021 1.328 . . . . 0.0 111.432 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.98 160.52 42.9 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 CA-C-N 123.364 2.237 . . . . 0.0 112.496 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.75 -35.42 80.67 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.206 1.403 . . . . 0.0 112.985 -170.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -42.97 -46.77 5.56 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.38 2.272 . . . . 0.0 116.484 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -65.38 -37.69 87.75 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.294 -1.503 . . . . 0.0 112.831 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.98 -40.06 83.18 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.938 -1.101 . . . . 0.0 111.208 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.0 mmt -55.47 -50.55 69.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.299 1.04 . . . . 0.0 112.85 171.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.86 -55.36 35.4 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 121.028 -1.045 . . . . 0.0 112.714 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.879 1.272 . . . . 0.0 114.204 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -66.03 -40.74 91.28 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.857 -1.152 . . . . 0.0 112.902 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.23 -54.69 40.95 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.618 -1.301 . . . . 0.0 112.971 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.38 -42.6 98.97 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.923 1.289 . . . . 0.0 112.788 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -67.4 -40.67 85.63 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.172 -1.58 . . . . 0.0 113.254 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.06 -45.36 85.69 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 121.143 -0.973 . . . . 0.0 112.546 172.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.46 34.62 1.41 Allowed Glycine 0 C--N 1.345 1.071 0 C-N-CA 124.404 1.002 . . . . 0.0 112.653 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.4 -177.12 4.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.434 1.094 . . . . 0.0 109.547 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -140.1 168.0 20.82 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 120.304 -1.498 . . . . 0.0 110.463 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 tpt -66.64 -25.54 66.63 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 -166.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -66.62 -16.17 63.99 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -91.79 -0.87 9.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.671 -1.268 . . . . 0.0 112.074 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.6 t -110.98 109.08 27.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 O-C-N 120.612 -1.305 . . . . 0.0 110.938 -170.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.69 96.49 7.96 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.668 -1.895 . . . . 0.0 108.982 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -88.84 139.86 30.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.307 -0.871 . . . . 0.0 110.74 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -134.43 131.52 38.26 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.624 -1.297 . . . . 0.0 111.004 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -104.45 115.28 30.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.56 25.45 13.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.122 1.439 . . . . 0.0 114.533 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.0 -1.81 86.86 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 120.062 -1.649 . . . . 0.0 114.513 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -118.73 171.06 5.64 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 124.965 1.306 . . . . 0.0 111.095 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.95 168.61 24.37 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 121.911 1.718 . . . . 0.0 112.377 166.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.85 151.99 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.27 125.86 35.64 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.22 -1.55 . . . . 0.0 111.535 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.82 -23.53 67.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.278 1.831 . . . . 0.0 115.112 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.26 -32.22 24.54 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.712 1.205 . . . . 0.0 112.648 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -75.53 162.37 28.36 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 122.73 1.252 . . . . 0.0 112.5 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 p -100.87 152.62 37.89 Favored Pre-proline 0 C--N 1.349 0.575 0 O-C-N 120.022 -1.674 . . . . 0.0 111.865 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 -16.87 31.74 Favored 'Trans proline' 0 CA--C 1.52 -0.179 0 C-N-CA 122.317 2.011 . . . . 0.0 111.563 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 m -76.69 -35.34 57.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 126.426 1.89 . . . . 0.0 110.431 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.9 m -65.22 -43.39 91.61 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.865 -1.147 . . . . 0.0 111.815 169.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.62 -47.58 39.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.312 70.9 mt-10 74.86 66.63 0.08 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.274 1.829 . . . . 0.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 mmt -115.07 11.07 16.32 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.697 1.199 . . . . 0.0 111.402 174.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.281 23.5 tt0 58.32 -108.19 0.4 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.264 1.426 . . . . 0.0 114.147 -168.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.54 135.71 13.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.345 1.069 . . . . 0.0 110.036 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.79 48.18 0.11 Allowed Glycine 0 CA--C 1.493 -1.291 0 O-C-N 120.205 -1.559 . . . . 0.0 110.057 -176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 92.12 4.7 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 129.568 3.147 . . . . 0.0 111.973 -156.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -86.07 129.46 34.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.437 -1.414 . . . . 0.0 113.718 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 tt -145.53 132.46 15.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 120.124 -1.61 . . . . 0.0 110.716 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.94 142.68 30.13 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.975 -1.703 . . . . 0.0 110.979 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.04 116.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 CA-C-O 122.519 1.152 . . . . 0.0 112.107 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.29 96.32 10.21 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.616 -1.303 . . . . 0.0 111.266 174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 129.63 36.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.042 1.337 . . . . 0.0 110.213 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--N 1.348 0.54 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -176.232 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.298 2.2 tp10 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.2 139.54 50.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.52 1.528 . . . . 0.0 111.278 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 pt -97.38 154.96 3.66 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 O-C-N 121.334 -0.854 . . . . 0.0 110.878 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -101.68 113.06 25.87 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 110.807 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.63 114.54 26.89 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 121.289 -0.882 . . . . 0.0 109.723 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.2 111.93 24.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.124 1.369 . . . . 0.0 110.126 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.02 106.15 20.12 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 121.157 -0.964 . . . . 0.0 111.145 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.12 104.46 16.41 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.938 -1.101 . . . . 0.0 110.947 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.76 130.29 9.72 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 120.676 -1.265 . . . . 0.0 114.436 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -55.63 14.64 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.12 1.768 . . . . 0.0 112.503 170.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.47 23.25 0.41 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.091 2.557 . . . . 0.0 113.352 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 75.81 2.0 3.63 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 127.906 2.483 . . . . 0.0 114.789 167.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 108.53 16.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 121.029 -1.044 . . . . 0.0 111.278 174.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -110.65 133.26 56.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 O-C-N 120.596 -1.315 . . . . 0.0 109.903 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.2 m -133.55 164.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.727 -1.233 . . . . 0.0 110.003 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.67 133.74 19.29 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.315 -1.491 . . . . 0.0 110.625 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.57 162.53 23.86 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.748 -1.22 . . . . 0.0 111.864 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 142.37 51.55 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 121.317 -0.865 . . . . 0.0 110.685 169.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.26 148.66 17.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 O-C-N 120.888 -1.133 . . . . 0.0 108.688 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.46 141.72 34.97 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.12 -1.612 . . . . 0.0 110.485 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -56.38 -20.53 19.79 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 -167.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -79.2 -20.76 47.55 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.058 1.743 . . . . 0.0 114.619 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.2 m -97.25 128.56 34.61 Favored Pre-proline 0 C--N 1.347 0.473 0 O-C-N 120.642 -1.286 . . . . 0.0 108.294 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.06 164.48 35.37 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 CA-C-N 123.092 2.14 . . . . 0.0 112.432 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.91 -41.18 95.78 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.357 1.063 . . . . 0.0 112.875 -165.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -35.36 -46.98 0.4 Allowed 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.105 2.562 . . . . 0.0 116.032 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -38.3 85.31 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.012 -1.68 . . . . 0.0 112.784 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.2 -47.47 50.34 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 121.163 -0.961 . . . . 0.0 111.337 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.84 -51.22 70.48 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.669 1.188 . . . . 0.0 113.544 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.8 -45.71 93.33 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.205 1.002 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.08 94.16 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.94 -47.07 81.92 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.963 -1.086 . . . . 0.0 113.377 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.77 -42.17 91.16 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.196 -1.565 . . . . 0.0 113.721 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.83 -55.35 33.57 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.215 1.406 . . . . 0.0 113.464 170.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -73.52 -33.7 64.89 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.903 -1.123 . . . . 0.0 112.046 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.59 42.37 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.143 -1.598 . . . . 0.0 112.966 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.95 4.52 22.61 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 121.169 -0.957 . . . . 0.0 113.063 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 129.14 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 120.837 -1.39 . . . . 0.0 110.697 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -89.2 127.38 35.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.275 -1.516 . . . . 0.0 109.474 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.0 tpt -62.68 -35.1 78.58 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -162.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.8 -2.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 O-C-N 120.921 -1.112 . . . . 0.0 113.131 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.16 121.83 62.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 O-C-N 121.063 -1.023 . . . . 0.0 109.181 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.31 116.63 32.23 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.233 -1.542 . . . . 0.0 110.982 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -125.58 132.39 52.55 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -135.46 148.41 49.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.493 -1.379 . . . . 0.0 112.451 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.74 120.46 35.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.037 1.335 . . . . 0.0 108.13 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 54.58 39.8 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 122.704 1.24 . . . . 0.0 113.338 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -7.67 78.08 Favored Glycine 0 C--N 1.351 1.38 0 O-C-N 120.313 -1.492 . . . . 0.0 116.071 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.49 157.13 66.24 Favored Pre-proline 0 C--N 1.347 0.497 0 CA-C-N 119.171 1.485 . . . . 0.0 110.927 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.27 150.66 65.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 CA-C-N 122.963 2.094 . . . . 0.0 111.7 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 tt -117.18 136.97 52.63 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-O 122.523 1.154 . . . . 0.0 110.916 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -98.53 120.71 39.43 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.989 -1.069 . . . . 0.0 109.606 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.56 -24.25 63.68 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -166.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -77.23 -29.4 54.1 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.652 -1.28 . . . . 0.0 114.267 -165.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -86.49 176.39 7.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.842 1.306 . . . . 0.0 112.56 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -98.89 149.25 35.57 Favored Pre-proline 0 C--N 1.347 0.479 0 O-C-N 119.646 -1.909 . . . . 0.0 113.816 -171.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.51 1.58 8.65 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.143 1.895 . . . . 0.0 111.961 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -81.34 -32.6 32.94 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.97 1.308 . . . . 0.0 111.372 171.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -71.17 -41.77 69.93 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 120.001 -1.687 . . . . 0.0 112.469 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.03 -12.97 61.82 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.294 69.8 mt-10 29.61 71.09 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 115.844 -163.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.8 tpp -92.97 151.25 20.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.92 -94.56 0.1 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.492 -1.38 . . . . 0.0 111.913 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.92 140.03 34.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 158.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.32 59.16 0.07 OUTLIER Glycine 0 CA--C 1.486 -1.774 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.73 85.14 5.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 122.98 1.372 . . . . 0.0 109.272 -163.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.0 p -86.97 114.7 23.8 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.941 1.696 . . . . 0.0 113.999 -172.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -119.65 134.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 O-C-N 121.002 -1.061 . . . . 0.0 110.547 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.13 138.99 31.02 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.242 -1.536 . . . . 0.0 108.866 171.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.29 122.47 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 122.819 1.295 . . . . 0.0 109.653 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -106.05 108.77 20.45 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.598 -1.314 . . . . 0.0 108.057 170.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -94.48 152.5 18.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 120.65 -1.281 . . . . 0.0 108.724 168.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.449 -0.493 0 O-C-N 119.648 -1.907 . . . . 0.0 112.901 177.246 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 . . . . . 0 C--O 1.235 0.324 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -119.73 161.45 20.72 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.853 -1.155 . . . . 0.0 112.997 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -130.68 143.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 124.41 1.084 . . . . 0.0 109.17 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -99.74 148.66 24.15 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.687 -1.258 . . . . 0.0 113.076 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.19 151.68 37.92 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.372 1.069 . . . . 0.0 109.236 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.16 117.91 29.94 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.79 1.236 . . . . 0.0 110.291 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.6 121.3 61.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.569 -1.332 . . . . 0.0 110.016 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.02 99.45 9.2 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.124 -0.985 . . . . 0.0 110.903 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.29 132.69 12.95 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.204 -1.56 . . . . 0.0 114.057 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -10.69 60.05 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.767 -1.431 . . . . 0.0 112.697 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -85.71 5.56 31.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.672 2.389 . . . . 0.0 112.174 168.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 80.33 14.06 0.84 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 129.493 3.117 . . . . 0.0 113.376 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.07 76.93 8.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.214 -1.554 . . . . 0.0 112.348 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.48 117.3 30.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 O-C-N 120.267 -1.52 . . . . 0.0 110.109 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.44 160.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.968 -1.083 . . . . 0.0 110.256 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -150.84 145.25 25.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.835 -1.79 . . . . 0.0 112.292 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -141.64 165.21 28.1 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 109.678 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -125.81 146.09 49.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.75 0.786 . . . . 0.0 111.744 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.27 156.94 30.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 121.286 -0.883 . . . . 0.0 111.071 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.2 146.56 36.94 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.615 -1.303 . . . . 0.0 110.864 170.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -51.19 -45.21 61.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.702 2.001 . . . . 0.0 115.757 -171.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -2.0 58.31 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.808 1.643 . . . . 0.0 115.057 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.4 m -87.73 119.0 70.45 Favored Pre-proline 0 C--N 1.344 0.363 0 O-C-N 119.563 -1.961 . . . . 0.0 109.958 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.63 157.72 40.0 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.575 1.955 . . . . 0.0 112.836 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.93 -41.03 97.76 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.58 1.152 . . . . 0.0 112.793 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -42.56 -41.23 2.94 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 128.295 2.638 . . . . 0.0 115.955 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -24.53 62.84 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.077 -1.64 . . . . 0.0 112.9 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 tt -86.18 -45.49 11.29 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.272 1.029 . . . . 0.0 110.615 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.5 mmt -57.4 -48.61 78.64 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 120.51 -1.369 . . . . 0.0 113.882 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.3 -32.85 73.29 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.537 -1.352 . . . . 0.0 111.345 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.01 71.6 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.511 -1.368 . . . . 0.0 113.467 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -56.09 -53.01 62.13 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.884 -1.135 . . . . 0.0 112.086 172.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.6 -45.34 70.02 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.334 1.054 . . . . 0.0 113.701 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -50.56 46.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.028 1.731 . . . . 0.0 113.976 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.1 -42.28 56.93 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.982 -1.699 . . . . 0.0 113.16 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.61 -31.35 61.98 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.387 -1.446 . . . . 0.0 111.923 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.79 60.07 1.82 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 121.248 -0.907 . . . . 0.0 111.735 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.17 163.69 32.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.099 0.952 . . . . 0.0 111.284 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -88.45 146.02 25.45 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.743 -1.223 . . . . 0.0 108.584 172.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.23 -23.81 64.85 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.355 -1.466 . . . . 0.0 111.604 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -59.81 -27.52 66.66 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -96.69 -0.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.475 -1.391 . . . . 0.0 112.145 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.13 107.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.972 1.309 . . . . 0.0 108.031 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -123.49 107.29 11.41 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.479 -2.013 . . . . 0.0 111.02 -170.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -109.35 147.88 32.0 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -169.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 144.4 50.45 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.85 1.26 . . . . 0.0 109.743 175.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -124.11 115.78 21.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.416 1.886 . . . . 0.0 108.08 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 59.55 26.81 15.87 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 123.175 1.464 . . . . 0.0 112.826 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.5 -25.45 20.78 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 119.974 -1.704 . . . . 0.0 114.016 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -89.91 159.15 43.55 Favored Pre-proline 0 C--N 1.341 0.238 0 O-C-N 120.603 -1.528 . . . . 0.0 110.22 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -71.2 150.4 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 CA-C-N 123.561 2.307 . . . . 0.0 110.967 160.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 tt -107.07 164.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 O-C-N 121.301 -0.875 . . . . 0.0 108.738 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -117.18 153.27 33.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.866 -1.146 . . . . 0.0 108.253 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -106.12 -4.63 20.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -163.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.09 -36.93 58.71 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 119.33 -2.106 . . . . 0.0 115.799 -166.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.52 169.1 16.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.187 1.795 . . . . 0.0 114.691 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.7 p -87.76 147.86 42.32 Favored Pre-proline 0 C--N 1.351 0.65 0 O-C-N 120.454 -1.404 . . . . 0.0 108.117 165.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.03 -3.04 13.15 Favored 'Trans proline' 0 C--N 1.332 -0.298 0 C-N-CA 121.997 1.798 . . . . 0.0 113.526 -167.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -68.12 -26.36 65.76 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.756 -1.215 . . . . 0.0 114.237 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -76.28 -1.44 26.58 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.572 -1.33 . . . . 0.0 113.8 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -91.03 -24.44 20.06 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.923 -1.111 . . . . 0.0 112.499 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.263 75.2 mt-10 43.98 74.73 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.707 2.403 . . . . 0.0 116.699 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 tpp -127.25 -6.18 5.98 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.835 -1.165 . . . . 0.0 113.052 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.298 30.3 tt0 57.28 -88.84 0.02 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.272 1.429 . . . . 0.0 114.808 -153.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.26 176.89 11.21 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.684 -1.26 . . . . 0.0 110.859 -175.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.07 37.48 15.5 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 120.938 -1.101 . . . . 0.0 111.688 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.29 129.18 36.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.855 1.262 . . . . 0.0 111.137 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 p -109.88 90.76 3.4 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.604 1.192 . . . . 0.0 113.986 -163.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -101.85 141.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 O-C-N 119.966 -1.708 . . . . 0.0 111.252 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -109.02 150.34 27.91 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 119.962 -1.711 . . . . 0.0 110.605 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.68 130.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 122.95 1.357 . . . . 0.0 112.927 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.0 122.9 29.4 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 119.86 -1.775 . . . . 0.0 109.499 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -127.44 145.26 50.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 C--N 1.349 0.567 0 O-C-N 120.139 -1.601 . . . . 0.0 114.878 -172.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 123.661 1.696 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -147.37 -179.54 6.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.404 -1.435 . . . . 0.0 110.484 -172.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 pt -127.8 142.89 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 120.76 -1.213 . . . . 0.0 108.328 161.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -92.61 99.81 12.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 165.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.19 133.07 40.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.303 -1.498 . . . . 0.0 111.653 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -91.75 112.73 24.77 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.928 -1.107 . . . . 0.0 111.007 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 t -110.71 112.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.748 0.819 . . . . 0.0 110.667 -170.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.39 119.8 39.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.198 -0.939 . . . . 0.0 110.732 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.41 147.9 16.93 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 123.108 1.393 . . . . 0.0 114.622 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.08 -16.0 62.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.564 1.546 . . . . 0.0 113.656 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -92.2 17.08 10.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.115 1.766 . . . . 0.0 112.119 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.54 16.19 1.58 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.336 2.254 . . . . 0.0 112.352 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 139.55 37.03 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 120.227 -1.546 . . . . 0.0 112.563 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.52 111.44 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 168.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.65 169.57 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 O-C-N 121.088 -1.007 . . . . 0.0 108.91 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -157.05 144.35 18.77 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.333 -1.479 . . . . 0.0 109.297 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -140.73 154.66 46.41 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 121.303 -0.873 . . . . 0.0 111.325 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -101.94 123.52 45.99 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 121.139 -0.976 . . . . 0.0 112.383 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.48 139.85 50.53 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 124.162 0.985 . . . . 0.0 109.713 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -62.89 144.37 56.76 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.06 -1.65 . . . . 0.0 111.501 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -66.26 -33.63 76.17 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.84 -1.788 . . . . 0.0 113.633 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -84.09 0.6 47.73 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 p -101.87 143.7 27.11 Favored Pre-proline 0 C--N 1.355 0.82 0 O-C-N 119.3 -2.125 . . . . 0.0 112.226 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.23 165.68 25.44 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.401 2.068 . . . . 0.0 114.397 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.11 -47.7 34.47 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.842 1.257 . . . . 0.0 114.132 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -40.27 -47.74 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.65 -48.5 72.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 113.193 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.89 -42.66 80.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.84 1.256 . . . . 0.0 111.471 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 95.5 mtp -56.34 -52.69 63.63 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.59 1.156 . . . . 0.0 112.829 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -64.01 -46.78 82.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.87 78.24 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -71.47 -41.77 68.95 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.067 -1.021 . . . . 0.0 112.528 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.3 m -59.08 -49.8 76.48 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.64 -1.288 . . . . 0.0 113.733 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.02 -33.69 71.03 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -73.74 -48.02 34.91 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.276 -1.515 . . . . 0.0 113.73 173.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.27 -35.46 77.34 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.944 -1.098 . . . . 0.0 112.039 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 4.07 58.75 Favored Glycine 0 CA--C 1.495 -1.189 0 O-C-N 121.143 -0.973 . . . . 0.0 112.825 166.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.07 -178.97 6.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.089 1.423 . . . . 0.0 113.916 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -110.29 114.62 28.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 120.593 -1.317 . . . . 0.0 109.856 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.1 ttm -59.86 -39.63 85.85 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -167.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -58.68 -30.4 67.34 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.5 11.04 2.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.07 -1.019 . . . . 0.0 112.389 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.08 108.7 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.576 1.551 . . . . 0.0 107.766 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -103.55 155.94 18.15 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 119.568 -1.957 . . . . 0.0 110.623 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -136.49 120.11 17.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.565 -0.709 . . . . 0.0 110.64 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.88 151.15 30.8 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.349 -1.469 . . . . 0.0 111.269 170.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -131.43 102.04 5.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.939 -1.101 . . . . 0.0 108.129 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 54.69 71.68 0.51 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.67 1.588 . . . . 0.0 113.421 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 -57.19 3.68 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 120.407 -1.433 . . . . 0.0 114.402 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -77.19 154.9 82.4 Favored Pre-proline 0 N--CA 1.444 -0.73 0 C-N-CA 125.78 1.632 . . . . 0.0 113.305 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.6 148.87 73.28 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.26 1.973 . . . . 0.0 111.254 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.13 144.12 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 122.074 0.94 . . . . 0.0 112.926 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -88.74 140.06 29.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.541 -1.35 . . . . 0.0 108.875 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -95.61 -21.57 18.15 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.811 1.244 . . . . 0.0 111.86 -168.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.0 -38.55 20.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.123 1.369 . . . . 0.0 113.436 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.43 171.74 12.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 123.604 1.669 . . . . 0.0 114.371 -174.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.3 p -104.76 156.44 35.96 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 125.491 1.516 . . . . 0.0 109.652 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 -6.88 19.76 Favored 'Trans proline' 0 C--N 1.332 -0.338 0 CA-C-N 122.303 1.858 . . . . 0.0 112.873 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 p -72.08 -35.2 69.19 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.053 1.297 . . . . 0.0 111.845 164.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -70.38 -17.47 63.04 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 119.712 -1.867 . . . . 0.0 113.531 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.56 8.63 17.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.398 1.079 . . . . 0.0 111.198 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.307 44.7 mt-10 23.92 75.42 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.888 2.475 . . . . 0.0 117.554 -164.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.1 mmt -98.89 166.38 11.32 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.422 1.089 . . . . 0.0 111.739 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -102.71 -70.25 0.76 Allowed 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.744 -1.223 . . . . 0.0 114.041 -157.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 166.83 134.49 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.16 2.184 . . . . 0.0 107.665 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.45 22.96 78.09 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 120.423 -1.423 . . . . 0.0 113.446 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.18 137.38 48.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.584 1.153 . . . . 0.0 111.388 -170.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.2 p -93.76 118.8 31.9 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.128 -1.608 . . . . 0.0 114.874 -164.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -111.58 142.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 123.826 0.85 . . . . 0.0 109.46 170.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 148.12 26.64 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.316 -1.49 . . . . 0.0 109.808 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 t -124.05 131.03 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 122.476 1.131 . . . . 0.0 109.419 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -112.81 86.15 2.31 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 120.859 -1.151 . . . . 0.0 109.725 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 152.07 19.06 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.561 -1.337 . . . . 0.0 111.24 170.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 123.079 1.419 . . . . 0.0 113.205 170.673 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 1.5 t-160 -160.17 67.31 0.36 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 120.901 1.682 . . . . 0.0 111.595 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -58.96 158.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.93 141.09 37.92 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.045 -1.659 . . . . 0.0 110.326 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.75 153.06 46.03 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 164.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -121.9 135.48 54.88 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.234 -0.916 . . . . 0.0 109.276 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.17 112.78 39.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 O-C-N 120.488 -1.382 . . . . 0.0 110.748 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -94.97 104.94 16.83 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.592 1.157 . . . . 0.0 109.77 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.56 129.8 9.94 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 120.196 -1.565 . . . . 0.0 111.288 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.1 -23.53 67.18 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.272 -1.134 . . . . 0.0 114.013 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.28 44.2 0.07 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.29 -1.506 . . . . 0.0 112.585 160.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 66.79 -26.78 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.335 2.654 . . . . 0.0 117.464 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.53 112.49 6.07 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.61 125.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.652 -1.28 . . . . 0.0 109.599 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -135.03 140.5 45.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.609 -1.307 . . . . 0.0 109.094 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -106.83 152.86 23.32 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.548 -1.345 . . . . 0.0 110.525 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -147.96 167.02 25.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.136 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HE3' ' CG ' ' A' ' 12' ' ' HIS . 26.8 mtmt -115.11 148.1 39.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.002 -1.061 . . . . 0.0 110.265 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 HG12 ' H ' ' A' ' 30' ' ' LYS . 12.8 tt -140.78 -179.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' H ' HG12 ' A' ' 29' ' ' ILE . 89.6 mttt -115.57 138.41 51.08 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 119.555 -1.965 . . . . 0.0 107.683 174.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.2 -6.31 38.58 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.718 2.007 . . . . 0.0 113.692 -165.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.47 -23.79 67.4 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.467 1.507 . . . . 0.0 113.626 163.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.72 132.02 50.29 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 120.298 -1.501 . . . . 0.0 112.491 -166.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.15 165.09 32.79 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 CA-C-N 123.324 2.223 . . . . 0.0 112.382 170.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.03 -41.19 64.48 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 121.148 -0.97 . . . . 0.0 112.509 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -50.58 -45.88 57.53 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -55.19 -42.81 73.75 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.404 -1.435 . . . . 0.0 113.85 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.84 -45.37 82.46 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.872 -1.143 . . . . 0.0 112.028 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.7 mtm -63.06 -48.67 77.69 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 120.975 -1.078 . . . . 0.0 113.875 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -61.45 -35.05 76.51 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.437 -0.789 . . . . 0.0 113.065 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.64 55.26 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.537 -1.352 . . . . 0.0 112.823 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -60.71 -48.31 82.36 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.358 -1.464 . . . . 0.0 114.507 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.818 -1.177 . . . . 0.0 113.636 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.54 -26.63 60.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -69.34 -41.57 76.46 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.089 -2.257 . . . . 0.0 111.866 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.0 38.96 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.717 170.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.15 47.24 0.89 Allowed Glycine 0 CA--C 1.499 -0.934 0 C-N-CA 125.293 1.425 . . . . 0.0 111.311 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.64 165.76 25.59 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.285 -1.126 . . . . 0.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -89.97 129.84 36.25 Favored 'General case' 0 CA--C 1.506 -0.73 0 O-C-N 120.853 -1.154 . . . . 0.0 111.598 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.16 -33.4 67.38 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.93 -24.69 54.45 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.64 -24.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 119.675 -1.891 . . . . 0.0 111.809 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.49 103.03 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 126.223 1.809 . . . . 0.0 110.448 -170.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.97 102.35 13.35 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.394 -2.067 . . . . 0.0 111.817 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -89.02 144.38 26.2 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.629 1.171 . . . . 0.0 112.243 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -137.67 153.72 49.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 121.094 -1.004 . . . . 0.0 110.043 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -139.78 136.54 34.2 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.432 -1.418 . . . . 0.0 109.132 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.01 36.14 21.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 123.321 1.534 . . . . 0.0 113.852 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 -30.75 6.21 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.57 -1.331 . . . . 0.0 114.367 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -112.55 163.22 18.37 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.294 -1.121 . . . . 0.0 112.331 -159.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.1 168.09 25.65 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.879 2.386 . . . . 0.0 111.228 170.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 tp -137.02 138.48 45.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-O 122.617 1.198 . . . . 0.0 111.849 -174.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -79.83 121.63 25.64 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.83 -1.169 . . . . 0.0 110.928 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -74.99 -6.41 49.2 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -167.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -77.15 -30.52 55.08 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.633 1.173 . . . . 0.0 113.563 -175.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -74.78 168.31 20.11 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.837 1.303 . . . . 0.0 113.147 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.2 p -113.37 153.87 45.51 Favored Pre-proline 0 C--O 1.234 0.28 0 O-C-N 120.299 -1.501 . . . . 0.0 111.074 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.52 -8.32 20.46 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 121.836 1.691 . . . . 0.0 112.178 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 p -71.73 -31.11 66.35 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.318 1.847 . . . . 0.0 111.907 169.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -51.78 15.74 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.764 1.269 . . . . 0.0 110.67 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.26 -43.98 97.99 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.788 1.635 . . . . 0.0 114.175 -176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.26 47.4 mt-10 69.52 46.92 0.7 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.018 1.327 . . . . 0.0 111.508 -169.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 ptp -76.59 160.7 29.2 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.769 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -110.25 164.43 12.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 123.246 1.498 . . . . 0.0 111.053 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.42 55.14 0.23 Allowed 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 119.383 -2.073 . . . . 0.0 113.962 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.66 17.19 0.05 OUTLIER Glycine 0 CA--C 1.498 -0.973 0 O-C-N 119.8 -1.813 . . . . 0.0 114.697 171.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -85.3 135.14 34.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.783 1.292 . . . . 0.0 114.242 -159.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -84.39 118.83 24.5 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.961 1.304 . . . . 0.0 113.493 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -97.58 138.55 22.12 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.961 -1.087 . . . . 0.0 109.059 163.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 145.13 26.75 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.49 -1.381 . . . . 0.0 109.644 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.7 107.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 122.725 1.25 . . . . 0.0 109.539 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -85.03 95.08 8.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.716 1.207 . . . . 0.0 110.742 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.3 158.67 26.07 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 124.761 1.224 . . . . 0.0 112.547 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--N 1.348 0.518 0 O-C-N 120.765 -1.209 . . . . 0.0 111.529 -179.113 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.654 0.74 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -168.94 103.39 0.39 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.039 1.335 . . . . 0.0 108.819 -166.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 pt -99.04 152.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 119.651 -1.905 . . . . 0.0 112.843 -164.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -91.43 132.95 35.88 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.16 0.984 . . . . 0.0 112.465 -172.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 138.17 49.13 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.12 1.368 . . . . 0.0 107.936 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -118.55 117.07 27.99 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.15 -1.594 . . . . 0.0 111.99 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.69 119.63 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 120.577 -1.327 . . . . 0.0 109.565 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.93 100.58 10.12 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.135 0.974 . . . . 0.0 110.411 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.1 139.28 15.59 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 120.171 -1.58 . . . . 0.0 113.878 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -68.67 -7.7 35.76 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.291 -1.711 . . . . 0.0 113.564 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.78 -3.29 43.64 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.347 -2.096 . . . . 0.0 112.716 166.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 93.77 2.01 0.07 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 129.85 3.26 . . . . 0.0 111.874 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 121.95 25.72 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.762 -1.837 . . . . 0.0 112.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -114.9 109.76 29.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.932 -1.105 . . . . 0.0 109.216 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.51 130.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 O-C-N 120.797 -1.189 . . . . 0.0 110.676 -171.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -97.52 127.69 43.68 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.542 -1.349 . . . . 0.0 112.079 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -116.78 -175.26 2.73 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.359 1.464 . . . . 0.0 108.736 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 1.3 ttmp? -146.15 133.0 20.09 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 119.832 -1.792 . . . . 0.0 111.756 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.82 138.22 49.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 O-C-N 120.263 -1.523 . . . . 0.0 111.527 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -72.07 109.65 6.01 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.289 -2.132 . . . . 0.0 109.34 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -72.26 49.74 0.2 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -140.2 -48.63 0.45 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.3 2.24 . . . . 0.0 107.043 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -76.88 128.08 82.35 Favored Pre-proline 0 C--N 1.347 0.49 0 CA-C-O 117.089 -1.434 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.13 176.25 9.81 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.596 2.197 . . . . 0.0 113.436 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -51.82 -36.24 47.23 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.773 2.429 . . . . 0.0 114.73 -169.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -41.7 -47.09 3.94 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.597 1.959 . . . . 0.0 115.543 172.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -62.09 -38.48 89.0 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.683 -1.261 . . . . 0.0 112.706 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.23 -55.88 6.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.351 -0.843 . . . . 0.0 110.923 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.3 mtm -67.75 -34.08 76.13 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -172.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.38 -44.5 71.35 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.025 -1.672 . . . . 0.0 110.413 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.71 98.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.793 -1.817 . . . . 0.0 114.315 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.44 8.46 5.1 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.02 -70.03 0.66 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.616 -1.302 . . . . 0.0 108.905 156.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.83 -50.69 71.27 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -170.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -86.0 9.08 18.12 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.477 -1.39 . . . . 0.0 112.758 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.97 -48.28 5.48 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 121.095 -1.003 . . . . 0.0 109.339 159.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.52 29.41 1.18 Allowed Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.494 1.521 . . . . 0.0 113.515 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -135.12 -175.45 3.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.756 1.223 . . . . 0.0 108.762 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.7 m -134.03 164.07 28.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 108.989 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -31.95 31.3 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 120.138 -1.601 . . . . 0.0 112.01 -171.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -54.51 -20.44 7.77 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.82 -0.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 119.989 -1.694 . . . . 0.0 113.788 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.5 t -107.14 142.12 20.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.701 -1.249 . . . . 0.0 109.259 -177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.15 137.99 50.62 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 119.359 -2.088 . . . . 0.0 107.937 167.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.18 151.98 36.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 120.498 -1.376 . . . . 0.0 111.513 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.6 150.8 45.43 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.44 -0.787 . . . . 0.0 111.511 177.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -127.81 129.91 47.79 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 57.94 24.06 10.57 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 123.882 1.801 . . . . 0.0 113.177 -168.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -0.31 82.8 Favored Glycine 0 C--N 1.349 1.251 0 O-C-N 119.467 -2.02 . . . . 0.0 114.775 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -111.8 155.26 43.45 Favored Pre-proline 0 N--CA 1.451 -0.396 0 O-C-N 120.772 -1.428 . . . . 0.0 112.36 -175.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.92 105.01 1.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.512 2.141 . . . . 0.0 111.711 166.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.5 162.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 125.186 1.394 . . . . 0.0 110.986 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -82.71 158.01 23.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.445 -2.034 . . . . 0.0 112.454 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -32.2 34.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 119.831 -1.793 . . . . 0.0 111.356 169.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.57 35.71 1.11 Allowed 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 120.422 -1.424 . . . . 0.0 111.113 168.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.92 170.89 15.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 119.706 -1.871 . . . . 0.0 112.242 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.4 p -116.99 133.14 23.14 Favored Pre-proline 0 C--N 1.344 0.334 0 O-C-N 121.096 -1.002 . . . . 0.0 110.531 -169.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.98 20.77 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.944 2.43 . . . . 0.0 113.312 -168.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -73.82 -42.78 60.41 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.637 -1.29 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 m -71.63 -7.04 45.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.561 -1.337 . . . . 0.0 114.07 177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.79 -7.77 59.63 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.757 1.223 . . . . 0.0 111.399 175.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 63.99 17.82 10.83 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.17 1.388 . . . . 0.0 114.081 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . 0.375 18.6 ptp 42.86 58.14 3.33 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -161.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.88 -169.95 2.83 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.828 -1.17 . . . . 0.0 110.899 169.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.14 158.35 42.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 120.645 -1.284 . . . . 0.0 108.648 162.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.97 27.79 13.2 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 120.637 -1.289 . . . . 0.0 111.15 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.04 102.69 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 130.311 3.444 . . . . 0.0 114.456 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 p -82.88 100.93 10.67 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.306 -1.496 . . . . 0.0 113.18 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 tt -98.46 125.1 51.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 122.403 1.097 . . . . 0.0 109.908 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 138.76 31.31 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.056 -1.652 . . . . 0.0 110.599 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -126.99 129.32 71.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.067 0.937 . . . . 0.0 113.113 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -117.7 161.13 20.18 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.78 1.632 . . . . 0.0 108.666 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -128.95 171.74 12.03 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 123.133 1.444 . . . . 0.0 114.057 -161.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 124.334 1.054 . . . . 0.0 112.482 168.664 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -120.42 163.08 18.44 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.312 -1.493 . . . . 0.0 114.152 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.09 169.52 20.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 108.258 161.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -136.02 86.56 2.24 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.164 -0.96 . . . . 0.0 110.994 -164.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.9 140.73 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 122.644 1.211 . . . . 0.0 114.095 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -114.58 103.84 11.41 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 126.671 1.989 . . . . 0.0 107.862 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -104.42 109.4 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 120.975 -1.078 . . . . 0.0 110.123 -170.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.82 100.87 10.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.782 -1.199 . . . . 0.0 110.686 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.43 121.39 9.93 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 120.904 -1.123 . . . . 0.0 111.201 169.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.79 -12.1 61.35 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.704 1.24 . . . . 0.0 114.086 -173.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -73.33 -21.81 60.46 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.253 2.221 . . . . 0.0 112.74 167.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 108.9 13.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 1 C-N-CA 131.709 4.003 . . . . 0.0 110.39 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 74.65 10.09 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.074 -1.641 . . . . 0.0 112.373 172.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.97 109.99 13.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 O-C-N 119.644 -1.91 . . . . 0.0 111.217 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.11 175.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.779 -1.201 . . . . 0.0 110.696 -175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.37 159.77 34.21 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 119.816 -1.802 . . . . 0.0 110.155 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -164.29 -171.44 2.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.055 0.542 . . . . 0.0 109.62 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -129.53 153.19 48.27 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.829 -1.169 . . . . 0.0 110.878 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.9 tt -134.35 161.25 40.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -83.65 144.76 29.19 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.315 -1.491 . . . . 0.0 108.34 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -67.95 -24.97 65.23 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.572 -1.955 . . . . 0.0 114.057 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -27.61 61.65 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.95 1.3 . . . . 0.0 114.221 176.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -96.15 141.71 23.53 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 119.551 -1.968 . . . . 0.0 112.36 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.14 162.08 26.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.608 1.539 . . . . 0.0 112.172 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.33 -34.38 78.19 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.778 1.231 . . . . 0.0 113.067 -170.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -50.77 -41.49 56.9 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.48 1.512 . . . . 0.0 114.567 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.982 1.313 . . . . 0.0 113.038 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.33 -34.63 23.65 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.38 -1.45 . . . . 0.0 111.98 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.8 mmt -56.65 -46.45 81.03 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.08 -1.638 . . . . 0.0 113.028 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -67.56 -17.48 64.66 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.23 -56.1 4.95 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.619 -1.926 . . . . 0.0 111.306 168.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -34.86 79.46 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.04 -62.35 1.72 Allowed 'General case' 0 C--N 1.354 0.766 0 O-C-N 121.235 -0.915 . . . . 0.0 112.964 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.77 -28.54 62.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.234 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 119.828 -1.795 . . . . 0.0 113.403 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -45.35 52.57 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.413 1.085 . . . . 0.0 111.77 171.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 41.67 2.51 Favored Glycine 0 C--N 1.345 1.083 0 C-N-CA 125.164 1.364 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.94 -173.95 2.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 121.238 -1.154 . . . . 0.0 110.875 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 m -130.67 151.03 51.57 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.329 -1.482 . . . . 0.0 109.828 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.7 ttm -68.18 -36.35 79.46 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -166.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.63 4.78 0.97 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.42 -10.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 119.542 -1.974 . . . . 0.0 112.09 166.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -107.91 97.44 5.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.344 1.058 . . . . 0.0 109.823 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -114.26 112.4 23.06 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.432 -1.418 . . . . 0.0 112.166 -170.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -86.21 147.2 26.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.999 1.319 . . . . 0.0 113.475 -176.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -139.38 135.26 33.49 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.884 -1.135 . . . . 0.0 109.17 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -133.88 128.29 34.31 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.461 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 65.88 9.88 6.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.637 1.575 . . . . 0.0 113.517 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.88 -11.19 59.02 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 119.463 -2.023 . . . . 0.0 112.441 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -111.92 168.67 7.29 Favored Pre-proline 0 N--CA 1.451 -0.416 0 O-C-N 121.056 -1.261 . . . . 0.0 111.699 -171.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.36 165.84 31.5 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.975 1.783 . . . . 0.0 110.612 156.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -136.58 145.14 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -96.79 139.12 33.31 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.397 -1.439 . . . . 0.0 109.623 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -6.24 45.61 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 -170.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -80.12 -32.58 39.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.532 1.533 . . . . 0.0 114.336 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -76.64 128.49 34.8 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.002 -1.061 . . . . 0.0 112.921 -171.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.4 p -95.06 154.89 39.52 Favored Pre-proline 0 C--N 1.348 0.513 0 O-C-N 120.444 -1.41 . . . . 0.0 110.373 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.27 -8.1 21.44 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.884 1.723 . . . . 0.0 112.448 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 p -70.83 -51.85 24.1 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.898 1.681 . . . . 0.0 111.004 163.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.4 m -66.85 -35.28 79.68 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.562 -1.337 . . . . 0.0 113.173 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.98 -8.65 59.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 33.96 20.95 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.993 1.717 . . . . 0.0 115.522 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.3 mmt -83.89 165.61 18.58 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.522 -1.986 . . . . 0.0 115.621 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.63 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.9 1.68 . . . . 0.0 113.47 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.54 155.96 20.32 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.08 -1.012 . . . . 0.0 110.794 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.68 45.95 1.17 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 125.308 1.432 . . . . 0.0 110.212 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.74 103.78 16.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 124.817 1.247 . . . . 0.0 113.831 -139.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.4 p -86.19 129.61 34.79 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.764 -1.835 . . . . 0.0 114.812 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.06 147.64 15.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -110.13 154.4 23.35 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 119.43 -2.044 . . . . 0.0 112.924 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.69 126.96 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-O 123.451 1.596 . . . . 0.0 111.785 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -91.95 98.85 11.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.088 -1.632 . . . . 0.0 109.434 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -109.97 157.53 19.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 162.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.028 -1.045 . . . . 0.0 109.516 173.223 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -153.9 -174.6 5.02 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.098 -1.626 . . . . 0.0 109.637 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -129.98 161.22 40.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.867 0.841 . . . . 0.0 109.414 164.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.71 153.41 18.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.462 1.905 . . . . 0.0 110.615 169.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.35 144.91 44.87 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.227 -0.92 . . . . 0.0 110.938 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -108.88 115.66 30.51 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.688 -1.257 . . . . 0.0 110.942 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -109.13 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-O 121.95 0.881 . . . . 0.0 109.728 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.37 103.33 15.98 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.344 -1.472 . . . . 0.0 111.583 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 124.49 7.08 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.475 -1.39 . . . . 0.0 114.611 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.25 -34.95 24.88 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.96 -5.61 39.78 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.367 -1.458 . . . . 0.0 114.795 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.293 22.8 m120 98.9 -7.62 0.04 OUTLIER 'General case' 0 C--N 1.349 0.563 0 C-N-CA 129.381 3.072 . . . . 0.0 113.452 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.19 75.61 3.75 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 119.933 -1.729 . . . . 0.0 112.585 170.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -79.54 127.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 C-N-CA 125.784 1.634 . . . . 0.0 109.716 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.22 153.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 CA-C-O 122.786 1.279 . . . . 0.0 112.314 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.76 122.78 47.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.708 -1.245 . . . . 0.0 109.845 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -107.22 166.3 10.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.571 1.176 . . . . 0.0 110.157 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -130.71 137.87 49.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 tt -143.49 140.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 O-C-N 120.716 -1.24 . . . . 0.0 110.152 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -78.32 139.37 38.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.319 -1.488 . . . . 0.0 109.213 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -62.9 -31.62 72.72 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -159.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -78.98 -12.03 60.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.4 m -84.17 125.95 71.06 Favored Pre-proline 0 C--N 1.344 0.353 0 O-C-N 120.215 -1.553 . . . . 0.0 111.5 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.35 149.83 51.5 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 CA-C-N 122.818 2.042 . . . . 0.0 111.987 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.0 -45.08 83.27 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.823 1.249 . . . . 0.0 112.933 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -38.83 -48.66 1.56 Allowed 'General case' 0 C--N 1.343 0.31 0 C-N-CA 128.254 2.621 . . . . 0.0 117.186 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.126 -0.983 . . . . 0.0 112.685 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -91.7 -52.32 4.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.504 -1.373 . . . . 0.0 110.198 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -50.03 75.29 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.184 1.394 . . . . 0.0 113.478 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -68.64 -24.57 64.56 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.417 -1.427 . . . . 0.0 113.329 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.26 77.74 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.564 -1.335 . . . . 0.0 112.185 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -67.19 -35.54 79.85 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.78 -1.825 . . . . 0.0 112.688 167.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.3 m -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.504 -1.372 . . . . 0.0 113.701 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -59.49 -48.84 80.11 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.378 1.071 . . . . 0.0 113.357 169.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -63.04 -43.93 97.32 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.463 1.105 . . . . 0.0 113.487 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.76 63.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.566 -1.334 . . . . 0.0 112.137 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.43 51.49 1.31 Allowed Glycine 0 C--N 1.345 1.075 0 C-N-CA 125.18 1.371 . . . . 0.0 110.851 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -148.54 -178.15 6.17 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 121.156 -1.202 . . . . 0.0 112.37 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.8 m -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.877 -1.139 . . . . 0.0 110.433 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.46 4.0 12.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.259 1.504 . . . . 0.0 114.068 -178.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.92 -63.55 1.06 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.66 1.984 . . . . 0.0 111.034 162.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.2 -41.4 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.551 1.14 . . . . 0.0 112.789 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.33 129.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 O-C-N 121.028 -1.045 . . . . 0.0 109.78 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -113.08 173.59 6.32 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.22 -1.55 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.69 159.44 44.52 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.902 -1.749 . . . . 0.0 112.521 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -139.94 149.54 43.43 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.622 1.169 . . . . 0.0 109.191 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -113.86 111.48 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.87 28.87 16.69 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.005 1.383 . . . . 0.0 113.656 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.08 60.8 Favored Glycine 0 C--N 1.357 1.715 0 O-C-N 120.376 -1.452 . . . . 0.0 114.338 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -112.42 162.95 19.09 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 120.651 -1.5 . . . . 0.0 113.274 -163.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.86 108.2 2.04 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 122.776 2.318 . . . . 0.0 114.372 173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -84.31 157.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.517 162.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -106.75 144.66 33.09 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 119.96 -1.713 . . . . 0.0 110.462 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.24 -17.01 63.12 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.385 -2.072 . . . . 0.0 114.635 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -79.6 -11.0 59.89 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 119.908 -1.745 . . . . 0.0 113.641 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -68.88 159.7 32.07 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 122.706 1.241 . . . . 0.0 112.796 -175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.37 140.6 19.25 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 119.879 -1.763 . . . . 0.0 109.77 -171.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.34 -16.26 22.09 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 CA-C-N 122.051 1.768 . . . . 0.0 112.527 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.1 p -74.32 -17.68 60.81 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 120.307 1.412 . . . . 0.0 112.98 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 m -85.36 -13.43 49.51 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.691 -1.256 . . . . 0.0 111.442 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.08 -54.38 2.54 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.66 1.184 . . . . 0.0 112.648 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.268 16.7 mt-10 62.28 69.41 0.62 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.5 mmt -117.73 -122.9 0.29 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 121.061 -1.024 . . . . 0.0 111.314 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.44 -149.6 0.35 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.961 1.704 . . . . 0.0 111.196 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.32 172.71 12.77 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.907 -1.746 . . . . 0.0 110.367 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.49 34.85 11.2 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 121.061 -1.024 . . . . 0.0 112.933 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.57 153.89 32.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -163.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -106.11 101.27 10.77 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.24 1.416 . . . . 0.0 114.608 -159.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 tt -116.82 126.61 74.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.558 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.67 133.11 43.46 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.88 -1.763 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -121.19 127.37 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 123.284 1.516 . . . . 0.0 110.977 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.58 89.68 3.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.371 -1.456 . . . . 0.0 110.354 -171.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -94.46 142.51 27.35 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 162.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.347 0.495 0 O-C-N 121.136 -0.977 . . . . 0.0 111.365 -179.365 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 123.122 1.439 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -164.14 172.65 13.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.509 -1.369 . . . . 0.0 107.335 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 pt -124.01 148.41 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.524 0.678 . . . . 0.0 110.305 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.82 150.91 22.32 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.941 -1.1 . . . . 0.0 110.018 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -128.86 142.45 50.96 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.223 -0.923 . . . . 0.0 108.658 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -107.92 138.74 43.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.756 1.222 . . . . 0.0 109.776 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.57 122.19 67.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.83 120.14 41.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 109.97 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.82 144.32 18.78 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 119.765 -1.834 . . . . 0.0 113.284 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -72.6 -28.17 62.62 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.175 -1.779 . . . . 0.0 110.588 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -26.96 62.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.112 2.565 . . . . 0.0 113.772 164.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.251 0.3 OUTLIER 93.5 24.75 0.01 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 129.285 3.034 . . . . 0.0 112.869 173.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 151.43 24.62 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.91 -1.119 . . . . 0.0 111.452 163.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 t -132.52 117.66 32.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 O-C-N 120.525 -1.36 . . . . 0.0 108.882 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -121.16 151.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 O-C-N 120.656 -1.277 . . . . 0.0 107.667 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.58 143.4 30.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.622 -1.924 . . . . 0.0 113.125 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -120.11 158.23 27.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.094 0.957 . . . . 0.0 112.46 -171.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -124.08 116.52 22.92 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 125.489 1.516 . . . . 0.0 108.704 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -142.93 145.33 23.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.756 -1.84 . . . . 0.0 112.432 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.09 154.01 28.36 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 119.081 -2.262 . . . . 0.0 112.27 174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -62.64 -28.92 70.24 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -82.63 -7.23 59.66 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.626 -1.296 . . . . 0.0 114.465 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -98.34 119.54 61.48 Favored Pre-proline 0 C--N 1.346 0.423 0 O-C-N 120.205 -1.56 . . . . 0.0 109.736 -171.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.19 159.92 29.81 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 CA-C-N 123.116 2.148 . . . . 0.0 112.884 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.31 -32.6 62.91 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.433 1.093 . . . . 0.0 112.237 -171.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -47.53 -44.8 26.1 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.588 1.955 . . . . 0.0 114.817 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -38.8 86.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.181 -0.949 . . . . 0.0 112.589 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.95 -47.7 82.08 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.8 -1.187 . . . . 0.0 111.636 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.4 mmm -55.06 -57.73 10.55 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.344 1.057 . . . . 0.0 113.494 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.34 -35.85 81.77 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.661 -1.274 . . . . 0.0 113.714 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.61 87.41 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.425 -1.422 . . . . 0.0 113.593 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.77 -35.34 78.52 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.541 -1.349 . . . . 0.0 113.082 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.55 -53.58 56.5 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.72 -1.238 . . . . 0.0 113.489 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -67.16 -27.78 67.57 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -75.21 -45.29 41.37 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.121 -1.612 . . . . 0.0 113.702 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.75 -48.49 10.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.65 14.82 39.28 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 124.841 1.21 . . . . 0.0 113.937 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.08 -169.45 0.94 Allowed 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.451 1.501 . . . . 0.0 112.712 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -152.34 156.34 39.41 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 118.936 -2.353 . . . . 0.0 110.539 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -70.02 -34.41 73.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.779 -1.201 . . . . 0.0 112.683 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.07 -9.07 19.37 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.7 -5.96 10.85 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.077 -1.639 . . . . 0.0 111.96 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.27 103.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 125.141 1.376 . . . . 0.0 108.16 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 103.83 15.78 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 118.846 -2.409 . . . . 0.0 108.491 175.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.9 138.28 42.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.443 1.097 . . . . 0.0 111.432 -171.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 HH12 ' CD ' ' A' ' 80' ' ' GLU . 34.2 mtm105 -142.8 145.76 33.55 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.807 -1.183 . . . . 0.0 111.455 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -111.64 125.71 54.25 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 49.83 40.59 20.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 122.899 1.333 . . . . 0.0 114.322 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.42 64.37 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 119.417 -2.052 . . . . 0.0 116.068 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -124.57 162.67 41.26 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 120.73 -1.453 . . . . 0.0 111.836 -164.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.19 162.64 31.27 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.458 2.106 . . . . 0.0 111.595 171.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -148.05 154.53 10.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -103.75 151.04 23.5 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.773 -1.204 . . . . 0.0 111.362 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -19.3 11.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.592 1.957 . . . . 0.0 112.42 -170.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.08 -23.52 64.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.905 -1.747 . . . . 0.0 113.363 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -74.4 172.63 11.57 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 123.255 1.502 . . . . 0.0 112.68 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -89.52 144.9 32.72 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 126.153 1.781 . . . . 0.0 110.801 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.53 -6.76 19.84 Favored 'Trans proline' 0 C--N 1.336 -0.127 0 CA-C-N 122.892 2.068 . . . . 0.0 113.654 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -73.92 -25.91 60.24 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.008 -1.057 . . . . 0.0 112.648 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -68.11 -18.34 64.61 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.938 1.695 . . . . 0.0 114.449 -168.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.03 -19.5 23.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.494 1.518 . . . . 0.0 113.03 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 61.68 29.58 18.18 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.5 mmt -77.02 -72.03 0.37 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.234 -2.166 . . . . 0.0 113.466 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 146.09 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.879 3.271 . . . . 0.0 107.185 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -122.92 167.72 13.22 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.647 -1.283 . . . . 0.0 108.243 160.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.52 65.52 1.56 Allowed Glycine 0 C--N 1.347 1.146 0 O-C-N 120.877 -1.14 . . . . 0.0 113.248 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -71.05 154.8 41.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 163.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -140.11 64.92 1.43 Allowed 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.268 1.427 . . . . 0.0 107.518 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -80.45 127.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 O-C-N 120.949 -1.095 . . . . 0.0 111.511 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' CD ' HH12 ' A' ' 56' ' ' ARG . 15.6 pt-20 -94.53 132.3 39.35 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.103 -1.623 . . . . 0.0 111.598 -174.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.4 t -116.56 124.33 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 125.1 1.36 . . . . 0.0 110.877 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 104.03 14.52 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.419 -1.425 . . . . 0.0 108.252 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.82 144.69 31.88 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.589 -1.32 . . . . 0.0 111.598 171.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 O-C-N 120.641 -1.287 . . . . 0.0 111.369 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -126.19 155.4 41.84 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.525 -1.359 . . . . 0.0 112.571 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 pt -113.81 -153.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 111.266 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.16 83.12 1.56 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.737 -1.852 . . . . 0.0 110.883 -165.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.29 126.14 30.46 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.92 -1.112 . . . . 0.0 111.164 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -111.02 103.95 12.46 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.46 102.56 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.73 94.39 9.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.911 -1.118 . . . . 0.0 109.746 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.18 118.17 6.2 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 120.961 -1.087 . . . . 0.0 112.03 173.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -11.32 60.71 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.834 -1.392 . . . . 0.0 112.898 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -77.63 0.73 22.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.927 1.691 . . . . 0.0 112.496 167.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 99.51 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.228 3.411 . . . . 0.0 111.278 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.32 81.26 8.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.441 -1.412 . . . . 0.0 113.4 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -80.7 118.34 28.26 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 O-C-N 120.264 -1.523 . . . . 0.0 109.708 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.84 162.18 40.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 O-C-N 120.654 -1.279 . . . . 0.0 108.79 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -154.65 152.77 30.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 119.614 -1.929 . . . . 0.0 111.527 -173.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -165.09 166.8 18.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.784 0.802 . . . . 0.0 109.982 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -106.65 122.25 45.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.136 -1.602 . . . . 0.0 111.719 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 tt -98.55 150.33 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.008 -1.683 . . . . 0.0 109.026 172.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -77.11 136.13 38.61 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.706 -1.246 . . . . 0.0 109.274 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -68.54 -18.67 64.41 Favored 'General case' 0 C--N 1.347 0.5 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 -166.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -12.31 59.56 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 121.026 -1.047 . . . . 0.0 112.649 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.4 m -91.04 123.12 65.5 Favored Pre-proline 0 C--N 1.346 0.436 0 O-C-N 120.631 -1.293 . . . . 0.0 110.747 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.37 158.6 48.08 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 122.79 2.032 . . . . 0.0 112.486 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.11 -36.89 72.31 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 123.557 0.743 . . . . 0.0 112.911 -170.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -47.68 -44.91 27.82 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.5 -44.15 95.15 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.877 -1.139 . . . . 0.0 112.901 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.07 -45.99 89.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.734 -1.228 . . . . 0.0 112.215 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.9 -48.45 81.38 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.903 -1.123 . . . . 0.0 113.381 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -66.15 -42.2 89.35 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.54 -1.35 . . . . 0.0 112.747 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.89 78.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.784 -1.197 . . . . 0.0 113.819 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.3 -45.03 77.72 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.646 -1.284 . . . . 0.0 113.327 170.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.5 m -53.49 -46.57 70.06 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.581 -1.324 . . . . 0.0 113.147 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.93 -54.76 18.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.652 1.581 . . . . 0.0 113.84 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -76.98 -28.79 55.24 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.077 -1.64 . . . . 0.0 113.959 -172.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.15 -36.57 30.05 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.958 -1.714 . . . . 0.0 111.651 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.8 73.77 1.28 Allowed Glycine 0 C--N 1.348 1.22 0 C-N-CA 124.567 1.08 . . . . 0.0 112.13 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.08 -172.0 4.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.848 1.259 . . . . 0.0 109.155 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -128.01 157.75 39.78 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.884 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.5 ttm -79.66 -0.38 33.71 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.492 -2.005 . . . . 0.0 113.866 -171.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -71.53 -42.99 67.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 119.694 -1.879 . . . . 0.0 113.132 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.53 -22.03 7.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 O-C-N 120.794 -1.191 . . . . 0.0 112.632 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.18 103.01 14.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 124.596 1.158 . . . . 0.0 109.072 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -108.82 132.94 53.52 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.472 -1.392 . . . . 0.0 110.279 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -118.31 149.96 40.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.863 -1.148 . . . . 0.0 113.038 -170.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -142.15 161.03 39.05 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.582 1.153 . . . . 0.0 108.579 168.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -123.65 125.81 45.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t70 50.34 41.88 25.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 114.295 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.68 -20.9 44.24 Favored Glycine 0 C--N 1.353 1.496 0 O-C-N 120.292 -1.505 . . . . 0.0 116.343 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -120.14 150.17 50.74 Favored Pre-proline 0 C--N 1.351 0.674 0 CA-C-N 119.566 1.683 . . . . 0.0 113.888 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.33 110.33 2.64 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.93 2.42 . . . . 0.0 112.729 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 tt -85.7 155.03 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 122.278 1.037 . . . . 0.0 113.012 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -74.68 141.38 44.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.66 -1.275 . . . . 0.0 110.562 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -19.32 19.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.516 -1.365 . . . . 0.0 113.279 -172.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -74.48 -27.52 60.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.478 -1.389 . . . . 0.0 114.485 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.16 174.22 11.77 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 119.902 -1.749 . . . . 0.0 115.23 -171.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.58 47.54 Favored Pre-proline 0 C--N 1.346 0.418 0 C-N-CA 126.219 1.808 . . . . 0.0 112.07 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -5.19 16.54 Favored 'Trans proline' 0 N--CA 1.471 0.17 0 C-N-CA 122.961 2.441 . . . . 0.0 113.47 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 p -73.08 -30.94 64.05 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.194 0.998 . . . . 0.0 111.361 163.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -66.26 -35.71 81.11 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.111 -1.618 . . . . 0.0 112.517 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.57 6.61 48.37 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.249 -0.907 . . . . 0.0 111.72 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.251 36.3 mt-10 41.8 59.77 2.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 127.387 2.275 . . . . 0.0 115.851 -176.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.08 169.39 10.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 -168.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.81 -117.66 0.02 OUTLIER 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.053 2.141 . . . . 0.0 111.712 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.38 152.44 27.56 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 125.496 1.518 . . . . 0.0 106.904 166.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.43 56.53 0.26 Allowed Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -97.59 93.16 6.27 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.083 0.944 . . . . 0.0 110.105 -151.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 48.9 p -83.4 99.25 9.94 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -170.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.8 tt -104.47 129.72 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 124.419 1.088 . . . . 0.0 108.77 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.98 140.94 29.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.679 -1.888 . . . . 0.0 109.077 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.85 114.72 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 122.925 1.345 . . . . 0.0 109.181 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -85.84 112.8 21.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 124.557 1.143 . . . . 0.0 108.441 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.19 142.16 47.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.282 1.433 . . . . 0.0 108.986 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 N--CA 1.447 -0.597 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 172.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ttt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 p -57.98 -48.82 78.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.985 1.714 . . . . 0.0 113.973 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.69 -0.58 7.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.459 1.903 . . . . 0.0 114.766 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -129.09 -45.16 1.26 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.557 -1.34 . . . . 0.0 112.311 -172.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.8 63.38 0.84 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 122.626 1.203 . . . . 0.0 113.653 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -112.06 68.52 0.67 Allowed 'General case' 0 C--N 1.349 0.575 0 O-C-N 119.884 -1.76 . . . . 0.0 111.795 -173.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.69 82.61 0.08 OUTLIER Glycine 0 C--N 1.346 1.132 0 O-C-N 121.218 -0.926 . . . . 0.0 112.386 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.44 148.71 5.94 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 121.286 -1.126 . . . . 0.0 112.203 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 86.51 124.99 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 128.299 2.64 . . . . 0.0 113.093 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 m -93.13 -78.9 0.41 Allowed 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.79 -1.194 . . . . 0.0 113.049 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -80.52 94.22 6.21 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 122.656 1.217 . . . . 0.0 112.2 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.603 ' CD2' ' HZ1' ' A' ' 28' ' ' LYS . 22.9 p80 -140.22 161.33 37.92 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.412 1.101 . . . . 0.0 112.065 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.72 151.92 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 125.271 1.428 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.95 143.06 32.29 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.64 134.05 55.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 108.533 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -108.34 120.79 43.4 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.65 116.51 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 O-C-N 120.916 -1.115 . . . . 0.0 109.058 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.93 118.59 36.92 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.252 1.025 . . . . 0.0 111.525 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.11 144.25 29.53 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.576 -1.952 . . . . 0.0 111.974 171.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.74 -38.41 60.85 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 126.964 2.105 . . . . 0.0 113.822 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -67.38 -92.39 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 127.7 2.4 . . . . 0.0 113.735 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.9 -6.47 0.12 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.437 1.895 . . . . 0.0 111.621 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.61 124.75 29.24 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.447 -2.033 . . . . 0.0 113.574 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -126.46 133.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 O-C-N 120.381 -1.449 . . . . 0.0 108.528 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.48 167.36 26.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 109.678 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -141.46 136.45 31.29 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.043 -1.661 . . . . 0.0 112.542 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -120.64 171.95 8.21 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.226 1.41 . . . . 0.0 111.397 -172.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HZ1' ' CD2' ' A' ' 12' ' ' HIS . 18.9 ttpp -136.52 133.1 36.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.002 1.321 . . . . 0.0 108.924 -174.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tt -151.24 156.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.817 -1.177 . . . . 0.0 110.423 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -71.79 147.1 47.58 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 119.734 -1.854 . . . . 0.0 111.626 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.56 -21.63 64.53 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.868 -1.77 . . . . 0.0 114.694 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -75.96 -42.04 49.66 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.075 1.35 . . . . 0.0 113.52 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -76.28 144.49 74.84 Favored Pre-proline 0 C--N 1.342 0.253 0 O-C-N 120.454 -1.404 . . . . 0.0 114.083 -165.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.9 161.54 43.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.461 2.107 . . . . 0.0 111.245 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.05 -19.96 53.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -164.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -56.62 -41.94 77.95 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -77.08 -6.05 51.28 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 121.094 -1.004 . . . . 0.0 113.583 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -90.2 -51.85 5.24 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.101 -0.999 . . . . 0.0 109.255 163.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 88.7 mtp -54.97 -63.75 1.05 Allowed 'General case' 0 C--N 1.354 0.776 0 C-N-CA 125.578 1.551 . . . . 0.0 114.655 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.6 -30.37 70.64 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.456 -1.402 . . . . 0.0 111.655 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.1 83.17 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.045 -1.034 . . . . 0.0 113.733 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -67.57 -36.56 81.18 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.512 0.725 . . . . 0.0 112.78 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -58.03 -43.62 86.88 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.281 -1.512 . . . . 0.0 114.207 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.98 -49.53 61.13 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.261 1.024 . . . . 0.0 113.462 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.89 -1.756 . . . . 0.0 113.772 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.1 -48.65 15.55 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.097 -1.627 . . . . 0.0 112.421 165.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.0 0.87 Allowed Glycine 0 C--N 1.348 1.243 0 C-N-CA 125.647 1.594 . . . . 0.0 112.686 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.17 168.63 19.3 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 m -100.48 134.28 43.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.699 -1.251 . . . . 0.0 112.924 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -18.18 54.15 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -66.17 -18.18 65.18 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.977 -1.702 . . . . 0.0 115.302 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.06 -20.47 6.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.567 0 O-C-N 120.515 -1.365 . . . . 0.0 112.301 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.6 t -93.15 86.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.398 -1.439 . . . . 0.0 109.684 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -92.1 104.66 17.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.552 -1.343 . . . . 0.0 112.643 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -97.2 145.9 25.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.95 -1.094 . . . . 0.0 113.041 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 HH21 ' CD ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -142.3 142.11 32.49 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.096 -1.002 . . . . 0.0 110.907 171.531 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.89 132.09 56.75 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.527 1.931 . . . . 0.0 106.495 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t0 57.3 27.65 14.04 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.41 1.576 . . . . 0.0 112.835 -177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.1 16.98 67.39 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 119.938 -1.726 . . . . 0.0 115.624 -170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -129.8 161.15 61.21 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 109.935 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.85 160.35 37.43 Favored 'Trans proline' 0 C--N 1.331 -0.368 0 CA-C-N 122.483 1.923 . . . . 0.0 112.432 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.2 tt -140.6 164.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -128.77 178.6 6.23 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.054 -1.654 . . . . 0.0 110.071 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.63 -20.02 47.78 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.425 -1.422 . . . . 0.0 114.62 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -78.23 -34.0 49.48 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.739 0.816 . . . . 0.0 112.533 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.63 101.92 1.75 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.756 1.623 . . . . 0.0 112.046 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -76.96 149.03 79.68 Favored Pre-proline 0 C--N 1.345 0.394 0 O-C-N 119.329 -2.107 . . . . 0.0 110.579 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -73.13 -11.2 25.07 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 CA-C-N 122.694 1.998 . . . . 0.0 111.666 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -80.37 -7.64 59.18 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -85.84 -27.57 25.01 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.354 -1.466 . . . . 0.0 110.539 164.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -84.91 -48.18 9.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.1 -1.0 . . . . 0.0 112.54 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.277 81.7 mt-10 53.59 69.14 0.74 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -99.13 8.23 45.09 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.173 -0.954 . . . . 0.0 110.163 163.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.278 26.1 tp10 63.55 -99.9 0.08 Allowed 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.175 1.79 . . . . 0.0 110.585 -162.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -135.37 175.31 9.7 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.974 1.261 . . . . 0.0 113.494 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.41 73.3 1.22 Allowed Glycine 0 C--N 1.351 1.416 0 C-N-CA 123.874 0.75 . . . . 0.0 112.185 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -78.62 151.13 32.49 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.754 -0.851 . . . . 0.0 109.5 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -134.44 32.95 3.32 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.613 1.965 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -52.68 131.83 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.039 2.136 . . . . 0.0 115.139 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' CD ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -94.39 155.67 16.86 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 119.888 -1.757 . . . . 0.0 111.778 -177.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -121.1 109.81 26.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-O 122.291 1.043 . . . . 0.0 109.636 167.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.85 80.42 7.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.279 -1.513 . . . . 0.0 109.643 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -57.97 162.09 3.56 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.151 1.78 . . . . 0.0 114.827 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.06 -55.31 14.89 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.891 -1.756 . . . . 0.0 113.368 173.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.71 -143.17 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -69.72 119.25 13.67 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.746 2.066 . . . . 0.0 113.638 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.71 105.85 0.19 Allowed Glycine 0 C--N 1.351 1.38 0 O-C-N 120.476 -1.39 . . . . 0.0 112.655 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.469 0 O-C-N 121.037 -1.272 . . . . 0.0 111.119 177.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -112.28 54.81 0.7 Allowed 'General case' 0 C--N 1.352 0.704 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -118.42 -46.29 2.59 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 113.178 -158.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 70.74 -39.03 0.44 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 126.022 1.729 . . . . 0.0 114.725 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -45.69 -16.28 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 131.034 3.734 . . . . 0.0 120.912 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 128.36 41.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.621 -1.924 . . . . 0.0 112.149 -175.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.53 146.34 4.57 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 120.415 -1.428 . . . . 0.0 112.483 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.91 -90.41 0.46 Allowed Glycine 0 C--N 1.343 0.924 0 O-C-N 121.833 -0.804 . . . . 0.0 111.321 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.263 45.7 mt-10 66.56 -101.87 0.07 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 126.791 2.036 . . . . 0.0 116.037 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.393 41.3 p 80.64 -136.98 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.355 2.662 . . . . 0.0 111.428 -166.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -75.62 86.01 2.68 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 119.56 -1.962 . . . . 0.0 115.163 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -102.55 158.91 15.89 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.797 1.239 . . . . 0.0 112.32 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -136.66 175.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 124.054 0.942 . . . . 0.0 111.447 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -128.78 117.17 20.64 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.516 1.526 . . . . 0.0 110.151 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.59 142.72 27.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.628 0.728 . . . . 0.0 110.502 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -101.24 107.39 18.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.248 1.419 . . . . 0.0 109.821 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -97.7 99.56 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.765 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.45 101.78 13.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.572 1.149 . . . . 0.0 111.854 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.88 136.33 14.75 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 119.545 -1.972 . . . . 0.0 114.085 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.15 -32.16 73.44 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.48 -1.6 . . . . 0.0 112.51 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.91 49.62 1.09 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.003 1.721 . . . . 0.0 111.694 173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m120 66.84 -50.97 0.46 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.147 2.579 . . . . 0.0 117.68 175.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.95 118.42 12.77 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -95.62 128.85 46.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.875 -1.141 . . . . 0.0 110.367 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 t -120.83 158.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 125.024 1.33 . . . . 0.0 108.847 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.57 140.7 52.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.335 -2.103 . . . . 0.0 111.324 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -122.17 147.31 46.33 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.078 -1.014 . . . . 0.0 110.418 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -113.27 139.09 49.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.45 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG12 ' H ' ' A' ' 30' ' ' LYS . 5.8 tt -145.06 -179.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' H ' HG12 ' A' ' 29' ' ' ILE . 32.4 mtpt -98.17 159.74 14.74 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.803 -1.81 . . . . 0.0 110.629 170.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -74.05 -44.07 55.56 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -80.69 -2.91 48.7 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 120.569 -1.332 . . . . 0.0 114.111 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -88.13 131.23 43.38 Favored Pre-proline 0 C--N 1.352 0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.779 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.04 157.58 50.73 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.202 1.935 . . . . 0.0 111.814 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.95 -27.05 43.55 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -163.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -51.25 -38.18 51.24 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.725 1.61 . . . . 0.0 115.004 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -45.81 89.87 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.463 1.505 . . . . 0.0 113.182 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.86 -49.13 49.39 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.267 1.427 . . . . 0.0 111.483 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 87.2 mtp -51.9 -52.98 46.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.743 1.617 . . . . 0.0 112.886 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -65.34 -49.66 68.58 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.262 -0.899 . . . . 0.0 111.645 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.3 -41.94 66.14 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.48 -44.46 74.73 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.771 -1.205 . . . . 0.0 112.275 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.78 -43.81 98.12 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.767 -1.208 . . . . 0.0 113.208 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -53.19 57.82 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.419 2.287 . . . . 0.0 113.408 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -76.13 -19.75 58.23 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.002 -1.061 . . . . 0.0 113.085 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.22 -41.77 27.52 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.216 -1.552 . . . . 0.0 112.354 164.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 33.82 11.34 Favored Glycine 0 C--N 1.345 1.075 0 C-N-CA 126.011 1.767 . . . . 0.0 111.404 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.0 152.07 23.82 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 123.001 1.382 . . . . 0.0 113.051 -173.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -78.62 128.96 34.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 120.926 -1.109 . . . . 0.0 111.79 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.83 -33.54 71.9 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.829 -1.169 . . . . 0.0 112.577 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -44.36 -40.03 5.05 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.207 2.203 . . . . 0.0 116.859 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.65 5.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 O-C-N 120.68 -1.263 . . . . 0.0 112.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.9 88.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.09 0.956 . . . . 0.0 110.011 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -92.36 157.78 16.43 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.311 -2.118 . . . . 0.0 110.861 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -147.98 154.51 40.4 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.636 -1.29 . . . . 0.0 111.993 -172.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 154.13 49.12 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 168.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -117.53 123.99 47.62 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.64 25.52 6.47 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.08 -20.9 47.0 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 119.53 -1.982 . . . . 0.0 115.357 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -119.0 160.53 40.5 Favored Pre-proline 0 C--N 1.347 0.463 0 CA-C-N 119.628 1.714 . . . . 0.0 112.044 -172.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.65 163.69 36.72 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-N 122.948 2.088 . . . . 0.0 112.104 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -143.86 155.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.39 160.43 14.29 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.469 -1.394 . . . . 0.0 109.374 171.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.53 -14.59 61.24 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 119.555 -1.966 . . . . 0.0 112.752 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -84.11 -8.16 59.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.531 1.932 . . . . 0.0 112.178 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -78.83 105.6 10.26 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.265 -1.522 . . . . 0.0 110.018 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.5 p -100.35 151.45 37.55 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 120.511 -1.368 . . . . 0.0 112.906 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 -7.37 18.17 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.216 1.944 . . . . 0.0 112.409 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -82.54 -41.08 20.1 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 110.89 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m -76.4 -28.56 56.75 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.66 -1.275 . . . . 0.0 112.739 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.29 -38.85 75.09 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.303 -1.498 . . . . 0.0 113.006 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.346 16.1 mt-10 67.61 19.06 9.9 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 61.5 tpp -63.93 138.48 58.49 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.734 1.213 . . . . 0.0 108.809 159.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.29 -69.97 0.47 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.149 -1.594 . . . . 0.0 111.836 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.87 165.73 35.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.75 32.41 1.58 Allowed Glycine 0 C--N 1.345 1.055 0 C-N-CA 124.197 0.904 . . . . 0.0 111.017 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.19 115.54 16.01 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.119 2.168 . . . . 0.0 112.612 -166.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 p -91.56 103.21 15.83 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.592 1.557 . . . . 0.0 114.842 -166.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 tt -118.4 126.41 75.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 O-C-N 120.441 -1.412 . . . . 0.0 111.116 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -90.39 146.84 23.85 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.741 -1.849 . . . . 0.0 111.075 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.1 t -117.94 114.65 45.97 Favored 'Isoleucine or valine' 0 C--N 1.345 0.372 0 CA-C-O 123.008 1.385 . . . . 0.0 110.592 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 100.09 11.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.425 1.49 . . . . 0.0 108.989 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.23 127.91 34.24 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.485 -1.384 . . . . 0.0 112.153 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -92.46 -42.86 9.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 112.154 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.84 119.4 21.98 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.332 -1.48 . . . . 0.0 113.638 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -82.91 83.35 7.82 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.979 1.371 . . . . 0.0 112.697 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.71 133.77 1.6 Allowed Glycine 0 C--N 1.344 0.993 0 O-C-N 120.344 -1.473 . . . . 0.0 111.194 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.561 0 O-C-N 121.426 -1.043 . . . . 0.0 111.89 -178.096 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 mtt . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -75.35 73.36 2.42 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.418 1.087 . . . . 0.0 112.511 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -168.05 -140.41 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -136.52 106.41 6.26 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.208 -1.558 . . . . 0.0 106.867 154.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt 40.41 83.22 0.02 OUTLIER 'General case' 0 C--N 1.352 0.713 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.06 96.62 4.47 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.771 -1.831 . . . . 0.0 114.193 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.81 96.4 0.17 Allowed Glycine 0 C--N 1.347 1.17 0 O-C-N 121.024 -1.048 . . . . 0.0 111.367 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.54 -104.84 0.24 Allowed Glycine 0 C--N 1.344 1.005 0 O-C-N 121.504 -0.998 . . . . 0.0 112.277 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -75.42 94.26 3.06 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-O 122.713 1.245 . . . . 0.0 112.308 -170.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 m -98.69 -19.63 17.41 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.226 1.41 . . . . 0.0 111.108 -160.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -65.81 67.95 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 0 C-N-CA 129.383 3.073 . . . . 0.0 115.358 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -91.06 133.64 35.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.173 1.389 . . . . 0.0 110.342 169.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.4 137.51 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -87.74 136.37 32.98 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.415 1.086 . . . . 0.0 111.952 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 153.24 50.69 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.814 0.845 . . . . 0.0 109.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -125.76 138.93 53.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.065 -1.022 . . . . 0.0 111.758 174.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.01 112.2 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 124.184 0.993 . . . . 0.0 108.718 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.5 88.91 6.08 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.2 1.0 . . . . 0.0 110.018 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.67 120.44 5.28 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 121.121 -0.987 . . . . 0.0 111.893 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -8.1 44.88 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.18 17.66 0.34 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.018 1.727 . . . . 0.0 111.857 167.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 76.87 -20.43 0.37 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.909 2.484 . . . . 0.0 114.13 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.56 67.4 0.76 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.664 1.586 . . . . 0.0 114.772 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.81 134.55 27.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 125.589 1.556 . . . . 0.0 110.37 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.08 151.38 19.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 123.914 0.886 . . . . 0.0 111.184 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.87 141.02 52.4 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.376 -1.453 . . . . 0.0 110.784 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -154.74 178.56 10.0 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.066 -1.021 . . . . 0.0 110.342 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -140.72 152.3 45.18 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.121 -1.612 . . . . 0.0 114.629 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.15 159.62 42.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 C-N-CA 125.543 1.537 . . . . 0.0 108.338 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -75.42 144.36 42.23 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.948 -2.345 . . . . 0.0 111.334 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -80.48 1.87 27.59 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.933 -1.73 . . . . 0.0 115.419 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -87.39 -31.63 19.99 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.084 -1.635 . . . . 0.0 112.542 170.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 p -82.34 149.8 62.49 Favored Pre-proline 0 C--N 1.345 0.396 0 O-C-N 120.691 -1.255 . . . . 0.0 113.279 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -74.58 169.16 23.16 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.482 2.121 . . . . 0.0 112.176 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.81 -32.87 65.83 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.535 -0.728 . . . . 0.0 112.962 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -47.71 -41.18 22.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.739 -1.225 . . . . 0.0 112.938 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.9 -49.85 41.31 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.482 -2.011 . . . . 0.0 110.557 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.5 mmm -50.48 -57.92 6.94 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -80.39 -5.7 56.87 Favored 'General case' 0 C--N 1.345 0.373 0 O-C-N 120.256 -1.527 . . . . 0.0 113.291 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.07 16.66 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 119.945 -1.722 . . . . 0.0 110.346 164.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -55.59 32.01 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.742 1.217 . . . . 0.0 112.535 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.5 m -58.51 -54.8 42.91 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -70.33 -28.74 65.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.446 -1.409 . . . . 0.0 113.633 -174.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.67 -47.12 73.48 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.212 -1.555 . . . . 0.0 112.808 169.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -50.86 64.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.971 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.97 -28.44 4.61 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 121.416 -0.803 . . . . 0.0 111.682 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.26 169.63 17.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.935 1.294 . . . . 0.0 113.12 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 p -153.8 -171.84 4.02 Favored 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 119.626 -1.921 . . . . 0.0 110.347 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -72.92 -10.16 59.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 112.292 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.45 -25.89 65.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.167 -1.583 . . . . 0.0 112.662 168.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.87 -30.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 123.979 0.912 . . . . 0.0 113.304 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.93 135.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.316 -1.49 . . . . 0.0 109.793 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 90.51 3.35 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.704 -1.872 . . . . 0.0 110.59 -169.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -82.87 133.06 35.14 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.103 -0.998 . . . . 0.0 112.413 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 149.47 43.83 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.093 -1.629 . . . . 0.0 107.92 162.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -119.0 108.46 14.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.8 t0 52.84 48.13 23.14 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 123.148 1.451 . . . . 0.0 112.442 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.0 -31.74 3.35 Favored Glycine 0 C--N 1.354 1.55 0 O-C-N 120.317 -1.489 . . . . 0.0 115.592 -171.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -96.33 156.77 36.51 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 120.494 -1.592 . . . . 0.0 114.437 -163.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 110.42 3.02 Favored 'Trans proline' 0 C--N 1.331 -0.379 0 C-N-CA 122.812 2.341 . . . . 0.0 113.026 170.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.62 137.9 20.25 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 O-C-N 120.762 -1.211 . . . . 0.0 111.972 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -87.65 118.87 27.44 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.026 -1.671 . . . . 0.0 111.86 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.71 -15.99 59.92 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -69.38 -23.03 63.68 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.252 -1.53 . . . . 0.0 113.614 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -74.73 167.47 21.74 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 122.593 1.187 . . . . 0.0 113.717 -171.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -118.23 148.12 43.06 Favored Pre-proline 0 C--N 1.343 0.295 0 O-C-N 120.909 -1.119 . . . . 0.0 110.894 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.27 -5.17 16.55 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 CA-C-N 121.299 1.5 . . . . 0.0 112.715 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -81.36 -21.17 39.3 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 120.322 1.419 . . . . 0.0 111.622 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 m -83.08 -41.99 17.95 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.531 1.158 . . . . 0.0 109.559 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.2 mt -73.94 -53.67 9.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.303 1.441 . . . . 0.0 112.913 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.341 51.2 mt-10 77.29 68.37 0.05 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.998 2.119 . . . . 0.0 114.747 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -112.49 176.7 4.91 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.031 1.332 . . . . 0.0 109.594 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -99.86 -110.95 0.19 Allowed 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.939 1.296 . . . . 0.0 112.864 -169.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -144.07 159.55 42.43 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 120.306 -1.496 . . . . 0.0 107.6 165.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.29 38.06 8.62 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -89.06 160.64 16.97 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.867 0.841 . . . . 0.0 110.511 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 p -135.98 131.91 35.66 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 120.544 -1.347 . . . . 0.0 112.615 -160.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.0 tt -130.07 135.25 61.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 120.32 -1.488 . . . . 0.0 108.992 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -101.53 133.11 46.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.355 -1.466 . . . . 0.0 109.896 -174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.56 124.81 67.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.49 -1.382 . . . . 0.0 112.479 -170.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -104.63 163.31 12.57 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.79 1.236 . . . . 0.0 110.234 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.36 174.81 5.72 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.697 -1.252 . . . . 0.0 114.258 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 -82.07 0.12 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 161.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -87.39 148.59 24.94 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.796 1.238 . . . . 0.0 110.587 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -95.56 162.19 13.74 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.905 -1.122 . . . . 0.0 110.058 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 172.43 70.59 0.04 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 120.202 -1.561 . . . . 0.0 111.686 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.736 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 57.32 62.66 2.11 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.961 1.304 . . . . 0.0 112.87 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.455 ' CG ' ' HZ1' ' A' ' 5' ' ' LYS . 33.4 t0 -166.65 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.631 -0.668 . . . . 0.0 109.296 -148.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.34 9.8 tt0 106.73 118.37 0.01 OUTLIER 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.211 3.404 . . . . 0.0 113.688 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HZ1' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -168.18 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.229 1.811 . . . . 0.0 109.489 164.092 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 170.79 11.44 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 122.617 1.199 . . . . 0.0 114.02 -175.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.34 -107.12 0.5 Allowed Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.14 -174.55 54.93 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 78.27 -69.07 0.14 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.109 2.163 . . . . 0.0 112.781 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 p -136.58 176.34 8.79 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.014 1.326 . . . . 0.0 110.122 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' CD ' ' HZ1' ' A' ' 31' ' ' LYS . 38.7 tt0 -80.01 117.67 21.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 119.968 -1.708 . . . . 0.0 112.279 -172.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 149.17 40.83 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.581 -1.324 . . . . 0.0 113.154 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.79 154.2 39.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.742 1.217 . . . . 0.0 110.004 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -92.95 155.62 17.44 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.782 -1.198 . . . . 0.0 114.082 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -132.08 143.34 49.95 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 163.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -116.78 122.6 44.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 t -109.87 121.82 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 124.618 1.167 . . . . 0.0 110.083 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.0 111.55 19.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.083 -1.01 . . . . 0.0 113.155 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.09 166.07 51.33 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 120.161 -1.587 . . . . 0.0 113.98 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -6.2 47.38 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 120.872 -1.369 . . . . 0.0 114.192 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -85.4 -63.75 1.27 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.905 1.282 . . . . 0.0 111.034 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -5.92 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.468 2.307 . . . . 0.0 110.741 167.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.13 117.24 19.23 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 119.765 -1.835 . . . . 0.0 115.361 -167.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.11 121.43 63.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.74 -1.225 . . . . 0.0 109.388 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.17 144.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 125.778 1.631 . . . . 0.0 108.37 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -135.97 141.36 44.42 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 119.598 -1.939 . . . . 0.0 108.992 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -155.6 170.79 21.19 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.236 -0.915 . . . . 0.0 110.817 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -124.22 145.77 49.14 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 121.833 0.825 . . . . 0.0 112.049 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.73 153.63 31.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 125.437 1.495 . . . . 0.0 108.668 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -74.06 142.63 45.66 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.147 -1.596 . . . . 0.0 109.847 166.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 56.7 mtpt -72.32 -18.74 61.75 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.766 -1.834 . . . . 0.0 114.681 -177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -84.33 -11.14 56.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 120.516 -1.365 . . . . 0.0 114.321 -169.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -111.11 154.79 43.37 Favored Pre-proline 0 C--N 1.347 0.485 0 O-C-N 120.476 -1.39 . . . . 0.0 110.994 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.44 165.35 23.18 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 CA-C-N 121.563 1.594 . . . . 0.0 112.682 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -33.07 72.25 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -39.56 20.33 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.774 1.63 . . . . 0.0 114.284 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -50.74 72.6 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.334 1.054 . . . . 0.0 112.48 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.37 -46.89 63.18 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.507 -1.371 . . . . 0.0 112.033 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.6 mmt -54.68 -50.78 67.43 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.13 82.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.675 -1.266 . . . . 0.0 112.199 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.95 96.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.614 -1.304 . . . . 0.0 113.05 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -43.12 88.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.8 -1.187 . . . . 0.0 112.365 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -55.31 -58.54 7.31 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.131 0.972 . . . . 0.0 113.131 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -73.68 -17.07 61.18 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -76.89 -47.72 20.37 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.079 -1.638 . . . . 0.0 111.194 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.98 70.91 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.812 -1.18 . . . . 0.0 113.303 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 16.68 12.71 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 125.895 1.712 . . . . 0.0 112.386 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.08 -179.9 4.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 120.562 -1.552 . . . . 0.0 111.638 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.54 -179.29 7.45 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 119.506 -1.996 . . . . 0.0 108.992 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 ttm -77.11 -5.85 50.57 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.662 -1.273 . . . . 0.0 113.002 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -62.62 -31.19 71.98 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.558 -1.964 . . . . 0.0 113.991 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.43 -57.16 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.107 0.563 . . . . 0.0 110.756 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.48 113.48 24.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.404 -1.435 . . . . 0.0 112.076 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.62 128.83 56.17 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.763 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 146.88 27.8 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.225 1.01 . . . . 0.0 112.365 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -134.24 139.99 46.15 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 110.673 163.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -104.75 114.67 29.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.471 1.908 . . . . 0.0 107.532 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.75 -23.64 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.57 -29.73 0.25 Allowed Glycine 0 C--N 1.343 0.971 0 C-N-CA 126.639 2.066 . . . . 0.0 111.45 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -106.2 164.17 15.5 Favored Pre-proline 0 C--N 1.347 0.461 0 O-C-N 121.069 -1.254 . . . . 0.0 112.279 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.72 154.04 48.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.755 1.636 . . . . 0.0 111.752 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -125.69 166.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 125.284 1.434 . . . . 0.0 107.436 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -113.53 169.22 9.13 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.387 -1.446 . . . . 0.0 111.902 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.52 -24.07 16.25 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.553 1.941 . . . . 0.0 112.558 -170.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -70.74 -20.25 62.66 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.807 -1.183 . . . . 0.0 113.248 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -68.16 135.72 52.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.973 1.368 . . . . 0.0 113.41 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -94.87 133.96 25.67 Favored Pre-proline 0 C--N 1.343 0.314 0 C-N-CA 125.617 1.567 . . . . 0.0 109.927 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.72 -13.26 24.53 Favored 'Trans proline' 0 CA--C 1.52 -0.213 0 CA-C-N 122.943 2.087 . . . . 0.0 112.212 -171.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -65.59 -25.48 67.43 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 126.609 1.964 . . . . 0.0 112.95 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -79.38 -28.22 41.91 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.806 1.642 . . . . 0.0 112.667 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -89.03 -31.25 18.16 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -169.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.84 60.03 0.55 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.877 1.671 . . . . 0.0 112.325 -171.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.9 ptm -104.93 147.86 27.31 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.018 -1.051 . . . . 0.0 111.707 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.9 171.85 13.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 123.661 1.696 . . . . 0.0 111.486 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.97 134.1 46.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 123.315 1.531 . . . . 0.0 112.825 170.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.95 48.5 3.12 Favored Glycine 0 CA--C 1.498 -0.997 0 O-C-N 119.972 -1.705 . . . . 0.0 113.755 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -68.53 159.99 30.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.945 0.872 . . . . 0.0 112.233 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -114.88 82.7 1.78 Allowed 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.53 1.532 . . . . 0.0 110.491 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.06 132.19 42.14 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 122.552 1.168 . . . . 0.0 110.503 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.61 145.43 25.75 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 119.11 -2.244 . . . . 0.0 112.583 -173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.59 131.16 71.14 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 124.821 1.248 . . . . 0.0 111.659 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.86 145.18 37.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.587 167.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.23 -141.71 0.36 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.039 0.935 . . . . 0.0 111.87 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -111.04 -175.06 2.61 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.004 -1.685 . . . . 0.0 110.471 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.34 118.07 25.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.817 -1.177 . . . . 0.0 112.55 -171.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.2 p -81.97 81.15 8.05 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.856 -1.777 . . . . 0.0 112.574 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.39 53.79 0.32 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 119.985 -1.697 . . . . 0.0 113.512 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.743 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 175.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.49 -0.29 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p 161.65 -125.34 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.421 1.888 . . . . 0.0 106.338 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.33 29.67 0.01 OUTLIER 'General case' 0 C--N 1.349 0.587 0 C-N-CA 130.646 3.578 . . . . 0.0 117.586 -162.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 84.59 57.99 0.01 OUTLIER 'General case' 0 C--N 1.349 0.585 0 C-N-CA 129.337 3.055 . . . . 0.0 112.598 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.02 114.41 3.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.235 -1.54 . . . . 0.0 111.357 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.34 177.1 1.0 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 128.021 2.528 . . . . 0.0 105.893 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.92 -151.45 20.81 Favored Glycine 0 C--N 1.35 1.315 0 CA-C-N 119.239 0.927 . . . . 0.0 113.179 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 41.99 68.05 0.76 Allowed Glycine 0 C--N 1.354 1.568 0 C-N-CA 127.029 2.252 . . . . 0.0 117.905 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -112.66 137.55 50.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.351 1.06 . . . . 0.0 113.706 -171.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -156.02 -49.65 0.08 Allowed 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.388 -1.445 . . . . 0.0 111.424 170.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -151.82 131.0 12.72 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.687 -1.258 . . . . 0.0 110.859 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -137.43 160.66 38.47 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.997 -1.69 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 pt -110.04 149.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.949 -1.094 . . . . 0.0 109.518 173.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -119.88 134.16 55.33 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.79 159.28 29.86 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.666 1.186 . . . . 0.0 111.529 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -128.91 97.32 4.61 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 124.366 1.066 . . . . 0.0 111.611 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.72 100.05 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.671 -1.268 . . . . 0.0 109.528 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.3 95.8 8.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.083 0.953 . . . . 0.0 110.925 -173.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.5 134.01 13.55 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 120.579 -1.326 . . . . 0.0 114.526 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -60.79 -26.24 67.13 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.713 -1.463 . . . . 0.0 113.37 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.1 -9.74 42.77 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.224 -1.547 . . . . 0.0 113.058 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 95.45 2.05 0.04 OUTLIER 'General case' 0 C--N 1.355 0.839 0 C-N-CA 130.226 3.411 . . . . 0.0 112.58 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.75 107.84 18.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.358 -1.464 . . . . 0.0 110.839 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.71 130.52 54.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 124.857 1.263 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.64 144.86 36.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.773 -1.205 . . . . 0.0 112.817 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -93.87 121.55 35.45 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.503 -1.373 . . . . 0.0 112.562 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -106.27 168.65 9.0 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 110.255 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -150.33 141.17 22.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.547 -1.346 . . . . 0.0 109.517 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 tt -140.93 159.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -75.22 145.63 41.84 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.586 -1.946 . . . . 0.0 110.083 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -68.56 -27.06 65.74 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.427 -2.046 . . . . 0.0 113.219 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.39 -21.76 61.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 119.777 -1.827 . . . . 0.0 114.639 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -104.27 141.17 21.97 Favored Pre-proline 0 C--N 1.349 0.558 0 C-N-CA 124.316 1.046 . . . . 0.0 113.192 -166.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.32 161.18 38.2 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 123.081 2.521 . . . . 0.0 113.834 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.86 -45.08 37.54 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.172 1.389 . . . . 0.0 114.133 -167.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.7 -53.05 0.43 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 128.914 2.886 . . . . 0.0 117.861 -174.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -39.5 92.58 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.261 -1.524 . . . . 0.0 113.743 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.2 -43.52 81.9 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.976 -1.077 . . . . 0.0 111.392 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.97 -52.98 62.25 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 112.831 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.55 93.29 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.965 -1.085 . . . . 0.0 112.561 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.03 95.44 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.542 -1.349 . . . . 0.0 113.956 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.2 -41.76 99.2 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.126 -1.609 . . . . 0.0 113.203 171.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.5 -49.79 73.68 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.557 1.071 . . . . 0.0 113.71 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.99 -53.72 52.07 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.129 1.372 . . . . 0.0 113.557 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -69.06 -45.29 70.75 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.84 -1.163 . . . . 0.0 113.654 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -24.4 62.01 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.355 -0.84 . . . . 0.0 113.136 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.02 37.1 11.78 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 121.194 -0.941 . . . . 0.0 112.4 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -120.82 163.31 18.35 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.836 0.854 . . . . 0.0 110.145 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -120.26 148.49 43.63 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.451 -1.405 . . . . 0.0 112.043 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -14.07 62.39 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -174.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -49.38 -58.88 4.32 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.03 -1.669 . . . . 0.0 113.534 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.6 -11.73 10.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.832 1.253 . . . . 0.0 113.401 -170.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -105.49 103.61 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.038 -1.039 . . . . 0.0 110.406 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -87.25 114.54 23.94 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.331 -1.481 . . . . 0.0 110.691 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -97.66 137.5 36.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.007 0.923 . . . . 0.0 109.302 169.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -141.75 140.24 33.05 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.184 -0.947 . . . . 0.0 110.073 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -128.01 140.68 51.83 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t0 54.2 33.03 17.16 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.182 1.468 . . . . 0.0 112.331 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.06 -24.71 6.61 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.384 1.469 . . . . 0.0 114.785 -171.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -117.15 171.4 4.93 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 125.846 1.659 . . . . 0.0 114.068 -155.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -71.11 114.97 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.753 2.302 . . . . 0.0 113.424 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -87.57 153.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 C-N-CA 125.345 1.458 . . . . 0.0 111.035 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.88 137.18 34.29 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.95 -1.719 . . . . 0.0 112.167 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.77 -4.48 46.58 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -174.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -116.9 12.17 14.63 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 120.586 -1.322 . . . . 0.0 114.391 -158.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.94 -152.66 0.21 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.524 -1.36 . . . . 0.0 110.131 170.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.98 140.07 13.47 Favored Pre-proline 0 C--N 1.346 0.433 0 O-C-N 119.562 -1.961 . . . . 0.0 108.949 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.43 -25.64 55.84 Favored 'Trans proline' 0 CA--C 1.516 -0.376 0 CA-C-N 123.872 2.418 . . . . 0.0 113.789 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -77.77 -9.07 58.82 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.929 -1.107 . . . . 0.0 112.988 171.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -83.01 -44.77 14.85 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.354 -1.466 . . . . 0.0 109.794 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.45 -31.36 62.23 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.254 -0.904 . . . . 0.0 112.361 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.313 34.8 mt-10 82.85 -50.11 0.17 Allowed 'General case' 0 C--N 1.351 0.633 0 C-N-CA 128.467 2.707 . . . . 0.0 112.289 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.7 ttp -110.62 104.62 13.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 121.655 -0.653 . . . . 0.0 109.54 168.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -133.17 -15.23 2.57 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 123.108 1.432 . . . . 0.0 110.215 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.6 135.34 57.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.286 -2.134 . . . . 0.0 115.238 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.32 46.95 3.66 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 121.016 -1.052 . . . . 0.0 111.262 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 167.5 12.46 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.79 1.236 . . . . 0.0 112.594 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -148.0 58.69 1.11 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.831 1.652 . . . . 0.0 109.035 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.4 tt -77.34 120.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.7 -1.875 . . . . 0.0 113.338 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.82 133.81 33.81 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 119.455 -2.028 . . . . 0.0 110.849 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.29 124.93 71.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-O 122.786 1.279 . . . . 0.0 111.228 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -95.49 154.25 17.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 119.847 -1.783 . . . . 0.0 110.958 171.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -110.78 116.12 30.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.142 1.377 . . . . 0.0 107.867 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -151.45 101.16 2.79 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.722 1.249 . . . . 0.0 111.473 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.49 140.36 29.6 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.176 -1.578 . . . . 0.0 112.224 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.6 m 66.98 69.64 0.39 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-O 123.321 1.534 . . . . 0.0 111.458 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.37 -158.52 31.46 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -170.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.734 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.03 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.503 2.205 0 N-CA-C 118.735 2.865 . . . . 0.0 118.735 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -72.77 -61.88 1.65 Allowed 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.244 -1.535 . . . . 0.0 110.859 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.27 -104.54 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.556 1.142 . . . . 0.0 109.741 166.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 12.3 tt0 -90.44 178.84 6.01 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.136 -1.602 . . . . 0.0 112.843 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' H ' ' HG2' ' A' ' 4' ' ' GLU 0.302 4.0 mppt? 51.79 94.59 0.02 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 128.492 2.717 . . . . 0.0 115.207 -171.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -92.28 -117.96 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.332 1.453 . . . . 0.0 110.884 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.13 -69.4 0.17 Allowed Glycine 0 C--N 1.347 1.15 0 O-C-N 119.302 -2.123 . . . . 0.0 112.567 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.6 83.41 0.88 Allowed Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.673 0.654 . . . . 0.0 112.331 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.39 114.73 10.83 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.62 -166.58 0.68 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 103.12 -2.918 . . . . 0.0 103.12 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -54.05 130.71 38.86 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -165.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -157.24 148.86 22.23 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.712 -1.868 . . . . 0.0 111.594 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -101.07 148.78 6.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 120.738 -1.226 . . . . 0.0 111.851 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -93.26 135.73 34.19 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.036 -1.04 . . . . 0.0 110.173 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.35 132.62 55.36 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.545 -0.722 . . . . 0.0 109.246 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -107.46 121.37 44.48 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.549 1.139 . . . . 0.0 109.738 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.68 108.85 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 125.084 1.354 . . . . 0.0 109.01 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.0 112.98 25.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.86 -1.15 . . . . 0.0 110.175 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 124.93 8.32 Favored Glycine 0 C--N 1.347 1.163 0 O-C-N 120.555 -1.341 . . . . 0.0 111.347 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -67.48 -11.83 58.84 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.15 -1.206 . . . . 0.0 114.101 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -46.08 -23.19 0.29 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 127.668 2.387 . . . . 0.0 116.087 156.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 100.43 44.95 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 C-N-CA 130.238 3.415 . . . . 0.0 111.737 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.0 161.26 38.1 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.496 -1.378 . . . . 0.0 110.481 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.84 137.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.958 -1.089 . . . . 0.0 110.118 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.29 147.1 18.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -133.99 144.16 48.58 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.519 -1.988 . . . . 0.0 110.089 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -146.01 176.53 9.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.6 0.76 . . . . 0.0 109.031 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 137.63 37.24 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 121.078 -1.014 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 tt -123.51 146.01 29.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 121.158 -0.964 . . . . 0.0 111.604 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.11 149.44 41.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.216 1.406 . . . . 0.0 110.463 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.7 -39.08 93.04 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 119.785 -1.822 . . . . 0.0 115.054 -169.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -17.19 58.51 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.9 p -91.49 130.47 39.28 Favored Pre-proline 0 C--N 1.35 0.62 0 O-C-N 120.058 -1.651 . . . . 0.0 112.937 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.96 157.4 54.78 Favored 'Trans proline' 0 CA--C 1.519 -0.235 0 C-N-CA 122.504 2.136 . . . . 0.0 113.463 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.43 -38.61 81.35 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.369 1.068 . . . . 0.0 113.065 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -50.79 -38.35 47.87 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.298 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -58.86 -46.04 88.69 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.771 -1.206 . . . . 0.0 113.643 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.76 -48.36 38.98 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.709 -1.245 . . . . 0.0 111.186 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -57.98 -44.88 87.38 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.864 -1.148 . . . . 0.0 113.645 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.65 -44.79 89.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.869 1.267 . . . . 0.0 111.609 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.58 78.89 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.022 -1.049 . . . . 0.0 112.796 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.6 -50.3 65.61 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.454 1.102 . . . . 0.0 112.975 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -56.57 -51.16 69.67 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.665 -1.272 . . . . 0.0 114.054 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -67.6 -40.37 84.78 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.24 1.016 . . . . 0.0 111.98 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -67.9 -38.5 83.05 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.886 -1.759 . . . . 0.0 113.666 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.57 85.13 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.296 -1.502 . . . . 0.0 111.512 171.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.14 48.38 1.24 Allowed Glycine 0 CA--C 1.497 -1.075 0 C-N-CA 124.54 1.067 . . . . 0.0 110.934 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -137.11 161.98 34.65 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.418 -1.048 . . . . 0.0 110.21 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 m -105.85 163.06 13.02 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.09 -14.71 61.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.986 -1.696 . . . . 0.0 111.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -54.25 -50.92 66.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 127.341 2.256 . . . . 0.0 115.021 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -86.66 -11.78 11.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.05 -1.032 . . . . 0.0 113.564 -169.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.05 130.43 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.498 1.119 . . . . 0.0 109.209 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -114.19 149.44 35.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.869 -1.769 . . . . 0.0 108.114 170.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.74 153.77 30.41 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -144.82 153.59 41.79 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.083 0.953 . . . . 0.0 109.681 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -133.4 127.43 33.41 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.022 1.329 . . . . 0.0 108.194 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.45 29.53 5.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.52 -35.7 4.88 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 120.049 -1.657 . . . . 0.0 113.427 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -94.17 162.34 26.8 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 125.251 1.42 . . . . 0.0 112.731 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.35 159.25 53.61 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 CA-C-N 122.435 1.905 . . . . 0.0 110.389 157.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 tp -132.71 147.89 31.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 121.565 -0.71 . . . . 0.0 109.432 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.41 147.0 23.98 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.507 -1.37 . . . . 0.0 110.213 171.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 4.75 51.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.816 1.647 . . . . 0.0 112.294 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -77.45 -57.88 3.58 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.772 -1.205 . . . . 0.0 112.426 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 136.3 57.74 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.7 161.79 54.95 Favored Pre-proline 0 C--N 1.346 0.425 0 C-N-CA 125.602 1.561 . . . . 0.0 112.649 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.27 -9.2 22.95 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 121.786 1.658 . . . . 0.0 112.052 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -62.59 -35.36 79.29 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 125.548 1.539 . . . . 0.0 111.993 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 m -86.01 -38.51 17.81 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.948 1.299 . . . . 0.0 112.259 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.56 -36.58 65.64 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 76.82 -5.81 2.12 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.852 2.168 . . . . 0.0 116.852 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.38 169.37 9.07 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -86.97 155.71 20.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.159 1.457 . . . . 0.0 113.813 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.59 57.23 1.56 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.318 -2.114 . . . . 0.0 115.614 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.79 41.69 0.09 OUTLIER Glycine 0 CA--C 1.497 -1.074 0 O-C-N 120.864 -1.148 . . . . 0.0 110.65 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.46 163.72 15.81 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 122.135 0.969 . . . . 0.0 113.393 -167.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -117.5 113.84 22.59 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.511 1.524 . . . . 0.0 112.635 -171.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -111.38 143.29 21.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.816 -1.178 . . . . 0.0 108.735 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -101.6 148.89 24.69 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.885 -1.76 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.35 134.67 65.87 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.508 1.523 . . . . 0.0 109.601 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.11 120.29 31.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 172.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -106.36 173.87 6.13 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.329 -1.482 . . . . 0.0 113.0 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -74.98 -10.91 59.92 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.344 1.458 . . . . 0.0 113.532 160.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -91.41 174.61 7.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.799 1.24 . . . . 0.0 111.585 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.0 p -129.18 59.81 1.57 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.873 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 -104.02 3.05 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 120.566 -1.334 . . . . 0.0 113.254 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.626 0 O-C-N 121.202 -1.175 . . . . 0.0 112.593 177.185 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.62 -56.4 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 121.235 -0.916 . . . . 0.0 111.873 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -160.81 169.81 21.96 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 -168.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -81.87 95.56 7.37 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 122.187 0.994 . . . . 0.0 111.222 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -160.66 36.06 0.16 Allowed 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.945 -1.097 . . . . 0.0 112.697 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.69 139.62 46.53 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.016 -1.678 . . . . 0.0 111.049 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.65 140.29 13.17 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.03 -176.81 39.25 Favored Glycine 0 CA--C 1.494 -1.222 0 N-CA-C 107.92 -2.072 . . . . 0.0 107.92 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 65.99 33.99 7.35 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 124.043 1.878 . . . . 0.0 113.221 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -76.23 159.05 31.01 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.165 1.386 . . . . 0.0 111.07 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 69.49 48.91 0.6 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-O 123.948 1.832 . . . . 0.0 113.964 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -96.73 134.87 39.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 120.116 -1.615 . . . . 0.0 111.747 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 pt -105.51 152.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 C-N-CA 124.297 1.039 . . . . 0.0 110.406 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.88 124.37 36.82 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.349 -0.844 . . . . 0.0 111.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.42 125.64 54.46 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -108.69 140.55 41.93 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.962 -1.086 . . . . 0.0 110.598 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.42 122.36 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 123.929 0.892 . . . . 0.0 108.969 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.55 98.18 7.6 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.39 -0.819 . . . . 0.0 110.511 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.93 137.73 19.76 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 120.065 -1.647 . . . . 0.0 114.749 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -67.57 -28.98 68.23 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.703 -1.469 . . . . 0.0 111.409 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.04 21.36 0.33 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 113.197 166.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 75.97 -8.14 1.68 Allowed 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.73 2.412 . . . . 0.0 115.858 166.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.06 30.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 120.963 -1.086 . . . . 0.0 112.914 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.36 124.01 70.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.99 161.91 39.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 121.152 -0.968 . . . . 0.0 108.959 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -149.79 130.95 14.48 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.517 -1.365 . . . . 0.0 113.064 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -124.82 162.76 23.62 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.468 1.107 . . . . 0.0 111.17 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -119.43 136.29 54.37 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.065 0.946 . . . . 0.0 109.543 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -139.16 151.37 23.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.85 -1.156 . . . . 0.0 109.085 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -66.34 128.47 36.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.193 -1.567 . . . . 0.0 109.96 167.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.7 -32.26 73.72 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.76 51.4 2.13 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 120.073 -1.642 . . . . 0.0 112.446 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.0 p -141.63 149.75 54.87 Favored Pre-proline 0 C--N 1.351 0.641 0 O-C-N 120.531 -1.356 . . . . 0.0 108.626 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.82 146.13 26.08 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 121.916 1.744 . . . . 0.0 112.536 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.11 -29.32 63.96 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.28 -0.888 . . . . 0.0 112.901 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.29 -26.93 61.64 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.931 -1.731 . . . . 0.0 113.8 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.17 -44.88 94.69 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.471 -1.393 . . . . 0.0 112.185 170.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.5 -47.92 74.34 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.057 0.943 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.0 mmt -52.68 -52.02 57.75 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.06 -48.04 83.59 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.331 1.052 . . . . 0.0 112.729 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.43 90.01 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.0 -1.687 . . . . 0.0 113.489 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.76 -48.91 67.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.643 -1.286 . . . . 0.0 112.615 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.34 -38.53 90.42 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.292 -1.505 . . . . 0.0 113.671 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -64.14 -23.13 67.2 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 173.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -44.08 9.33 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.361 -1.462 . . . . 0.0 112.161 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 119.85 -1.781 . . . . 0.0 114.394 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 60.59 1.63 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 121.365 -0.835 . . . . 0.0 111.684 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.34 175.24 10.94 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -104.1 138.03 41.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 120.77 -1.206 . . . . 0.0 111.07 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.22 -37.93 89.22 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.631 -1.293 . . . . 0.0 112.412 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -37.16 -44.26 0.55 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 129.579 3.152 . . . . 0.0 116.991 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.85 -4.23 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.961 -1.087 . . . . 0.0 113.654 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.7 t -109.34 81.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.734 -1.229 . . . . 0.0 109.109 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -90.76 99.93 12.87 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.486 -2.009 . . . . 0.0 114.65 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.58 143.8 46.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.486 1.915 . . . . 0.0 113.189 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -138.46 142.27 39.44 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.553 1.141 . . . . 0.0 108.128 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -111.87 125.65 54.25 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 61.05 25.72 15.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 123.887 1.803 . . . . 0.0 112.194 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.65 1.14 76.26 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.148 -1.595 . . . . 0.0 115.594 -170.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -113.54 155.46 44.79 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 119.701 1.751 . . . . 0.0 112.592 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.52 157.89 44.41 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.176 1.917 . . . . 0.0 110.821 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.97 157.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 O-C-N 121.057 -1.027 . . . . 0.0 109.532 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.95 127.44 32.87 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.558 -1.339 . . . . 0.0 110.605 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.82 -29.54 50.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.385 1.088 . . . . 0.0 111.818 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.49 0.38 42.69 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.336 -1.477 . . . . 0.0 111.12 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -174.35 4.68 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.267 1.508 . . . . 0.0 114.28 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.1 p -125.25 133.52 24.92 Favored Pre-proline 0 C--N 1.344 0.341 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.931 -164.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.09 1.6 8.52 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.355 2.037 . . . . 0.0 112.182 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 p -75.2 -41.88 56.81 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 125.949 1.7 . . . . 0.0 110.482 163.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -60.16 -49.21 78.55 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 122.364 1.078 . . . . 0.0 111.875 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.15 -19.32 62.44 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 55.27 51.45 13.1 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.845 1.658 . . . . 0.0 115.247 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -94.49 150.82 19.88 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 120.495 -1.378 . . . . 0.0 112.041 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.8 -99.5 0.14 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.49 1.516 . . . . 0.0 111.876 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.47 156.69 45.21 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.266 -1.521 . . . . 0.0 108.015 166.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 60.92 1.33 Allowed Glycine 0 CA--C 1.497 -1.066 0 O-C-N 121.358 -0.839 . . . . 0.0 113.577 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.77 154.46 38.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 122.021 -0.694 . . . . 0.0 109.803 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 p -142.13 81.14 1.74 Allowed 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 124.618 1.167 . . . . 0.0 108.344 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.79 123.76 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 122.454 1.121 . . . . 0.0 110.178 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.92 133.87 35.67 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 119.705 -1.872 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.36 125.15 74.16 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 O-C-N 120.512 -1.367 . . . . 0.0 110.797 -171.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 109.35 21.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 170.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.02 169.82 12.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.964 -1.085 . . . . 0.0 108.874 166.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -72.29 167.43 20.44 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 119.214 -2.179 . . . . 0.0 111.256 167.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.79 170.66 10.57 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.783 -1.823 . . . . 0.0 113.457 -175.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . 0.284 88.4 m 75.41 74.16 0.09 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.394 1.878 . . . . 0.0 111.608 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.94 -108.44 0.36 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 120.731 -1.231 . . . . 0.0 112.51 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.532 0 O-C-N 121.262 -1.14 . . . . 0.0 111.227 -177.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mmt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -89.28 -153.85 0.28 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.757 1.623 . . . . 0.0 113.172 -172.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 53.87 48.99 20.06 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.746 1.619 . . . . 0.0 114.398 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.64 41.8 18.21 Favored 'General case' 0 C--N 1.349 0.56 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -145.55 51.76 1.19 Allowed 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.789 -1.819 . . . . 0.0 111.265 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -122.88 171.67 9.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.881 1.672 . . . . 0.0 107.965 165.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.74 -79.08 1.88 Allowed Glycine 0 C--N 1.347 1.194 0 O-C-N 120.605 -1.309 . . . . 0.0 114.616 168.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.92 117.84 1.54 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 121.95 -0.735 . . . . 0.0 111.357 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -135.41 123.88 23.44 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.277 -1.131 . . . . 0.0 109.226 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.4 t -142.54 -165.71 2.1 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.901 -1.125 . . . . 0.0 108.387 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 52.88 64.62 1.79 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.586 2.354 . . . . 0.0 115.276 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -139.28 148.37 42.9 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 pt -103.64 170.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.744 1.618 . . . . 0.0 110.298 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -122.99 133.57 54.36 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 121.058 -1.026 . . . . 0.0 111.166 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.76 130.5 55.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -114.35 111.07 20.88 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.851 -1.156 . . . . 0.0 109.144 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.06 110.15 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 O-C-N 121.066 -1.021 . . . . 0.0 109.834 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.51 120.34 28.71 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.998 -1.064 . . . . 0.0 111.142 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.48 144.68 19.93 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 120.169 -1.582 . . . . 0.0 113.885 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -68.63 -28.98 67.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.116 -1.226 . . . . 0.0 113.603 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -94.96 67.61 3.13 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 119.692 -1.88 . . . . 0.0 109.693 160.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 74.17 -46.08 0.61 Allowed 'General case' 0 C--N 1.341 0.202 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 156.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.58 131.74 40.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.05 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 124.526 1.131 . . . . 0.0 108.836 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.63 128.14 75.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.475 -1.391 . . . . 0.0 108.801 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -106.81 138.32 43.21 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.141 -1.599 . . . . 0.0 112.654 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -121.1 170.22 9.76 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.57 1.176 . . . . 0.0 111.778 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -147.87 125.13 11.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 108.399 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -147.59 155.34 10.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 O-C-N 120.862 -1.149 . . . . 0.0 109.41 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -75.44 163.45 27.4 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.724 -1.86 . . . . 0.0 111.139 169.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.92 -13.83 60.26 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.489 -1.382 . . . . 0.0 113.626 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.99 -18.86 21.44 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.271 1.428 . . . . 0.0 113.619 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -102.87 128.59 27.49 Favored Pre-proline 0 C--N 1.345 0.4 0 O-C-N 120.694 -1.253 . . . . 0.0 107.738 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.25 158.1 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 122.302 1.858 . . . . 0.0 112.263 -162.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.71 -40.89 80.61 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.25 1.42 . . . . 0.0 112.175 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -52.88 -34.86 56.65 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.11 -44.25 84.87 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.173 -1.579 . . . . 0.0 111.568 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.98 -46.11 90.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.698 1.199 . . . . 0.0 111.965 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmt -55.16 -59.36 4.88 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -60.95 -39.27 88.89 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.542 -1.348 . . . . 0.0 113.546 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.69 83.58 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.678 -1.264 . . . . 0.0 113.896 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.404 -1.435 . . . . 0.0 113.496 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.86 -56.21 23.29 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.524 1.511 . . . . 0.0 112.969 168.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.65 -43.5 84.96 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.886 1.274 . . . . 0.0 113.121 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -75.31 -36.4 61.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.895 -1.753 . . . . 0.0 115.683 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -46.34 46.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.248 -1.533 . . . . 0.0 111.678 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.34 35.34 33.78 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.132 -0.98 . . . . 0.0 111.04 -173.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.1 167.25 15.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.488 1.115 . . . . 0.0 111.511 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -106.83 116.32 31.72 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 120.814 -1.178 . . . . 0.0 110.882 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.4 tpp -69.61 -14.15 62.68 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.063 -1.648 . . . . 0.0 113.76 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -69.56 -11.98 61.27 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.349 -1.47 . . . . 0.0 114.749 168.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.68 15.36 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 119.958 -1.714 . . . . 0.0 112.285 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.86 132.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 109.087 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -143.14 150.11 39.0 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.648 -1.282 . . . . 0.0 108.612 165.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -128.51 152.71 47.95 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.072 0.949 . . . . 0.0 110.698 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -157.83 158.78 35.82 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 121.147 -0.971 . . . . 0.0 113.215 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -135.1 136.54 42.04 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 47.03 44.51 15.06 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.23 1.412 . . . . 0.0 114.662 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.84 -31.26 3.37 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.071 -1.643 . . . . 0.0 115.731 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -96.13 138.98 21.57 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 124.722 1.209 . . . . 0.0 114.064 -163.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.61 138.39 29.31 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.497 2.132 . . . . 0.0 111.743 169.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 tt -106.54 162.09 5.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 C-N-CA 123.892 0.877 . . . . 0.0 112.335 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -99.6 121.7 41.58 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.603 -1.311 . . . . 0.0 109.418 171.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.49 11.99 4.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.854 -1.779 . . . . 0.0 114.549 -175.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -102.64 2.24 35.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.844 1.658 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.8 171.11 14.91 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.053 -1.03 . . . . 0.0 109.472 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 p -132.47 148.53 69.99 Favored Pre-proline 0 N--CA 1.473 0.705 0 O-C-N 120.33 -1.481 . . . . 0.0 112.637 -172.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.15 1.74 8.39 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 121.87 1.714 . . . . 0.0 113.29 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.3 p -89.05 -31.02 18.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.266 1.394 . . . . 0.0 110.728 164.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -66.42 -34.32 77.69 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.156 0.983 . . . . 0.0 113.62 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.41 -69.13 0.79 Allowed 'General case' 0 CA--C 1.513 -0.462 0 O-C-N 120.147 -1.595 . . . . 0.0 112.362 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 84.36 48.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.733 2.413 . . . . 0.0 112.674 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -145.59 -5.58 0.64 Allowed 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.712 -1.242 . . . . 0.0 112.698 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 46.32 1.35 Allowed 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 119.913 -1.742 . . . . 0.0 114.226 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.95 -39.53 34.31 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.219 -2.175 . . . . 0.0 111.603 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.93 92.92 0.43 Allowed Glycine 0 C--N 1.349 1.255 0 C-N-CA 124.4 1.0 . . . . 0.0 111.538 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.38 163.16 19.71 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.035 0.921 . . . . 0.0 111.474 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -152.72 51.62 0.76 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 127.21 2.204 . . . . 0.0 109.373 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 138.26 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 119.405 -2.059 . . . . 0.0 113.788 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.06 151.49 19.41 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 118.556 -2.59 . . . . 0.0 111.942 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.56 129.07 72.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-O 123.36 1.553 . . . . 0.0 112.098 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -87.45 134.35 33.61 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.391 -1.443 . . . . 0.0 108.141 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -136.96 154.26 50.48 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.907 1.283 . . . . 0.0 108.619 -167.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -21.04 45.05 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.348 -1.47 . . . . 0.0 113.564 170.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -76.57 126.27 30.69 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.881 -1.137 . . . . 0.0 111.982 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 m -139.02 134.61 33.26 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 120.897 -1.127 . . . . 0.0 108.836 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.99 -71.52 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.293 0 O-C-N 120.285 -1.509 . . . . 0.0 112.671 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -176.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m 64.82 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.355 0.838 0 C-N-CA 126.566 1.947 . . . . 0.0 114.229 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.4 71.69 10.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.742 -1.223 . . . . 0.0 108.016 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.346 53.0 tt0 9.87 -77.77 0.0 OUTLIER 'General case' 0 C--N 1.358 0.973 0 C-N-CA 130.767 3.627 . . . . 0.0 118.485 -155.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 82.04 -13.38 0.87 Allowed 'General case' 0 C--N 1.348 0.513 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 163.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 151.67 21.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.207 -1.558 . . . . 0.0 111.289 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.06 22.02 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.82 -1.175 . . . . 0.0 112.817 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.04 164.83 28.22 Favored Glycine 0 C--N 1.344 0.994 0 O-C-N 121.502 -0.999 . . . . 0.0 111.224 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -127.52 -59.93 1.2 Allowed 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.798 1.239 . . . . 0.0 110.126 173.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.93 -171.27 1.14 Allowed 'General case' 0 C--N 1.347 0.467 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 175.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -59.27 122.44 13.88 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.147 -1.596 . . . . 0.0 112.889 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 158.01 42.51 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.491 -2.006 . . . . 0.0 110.567 -170.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 pt -136.95 164.01 31.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 O-C-N 121.249 -0.907 . . . . 0.0 109.503 171.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -104.38 150.56 24.4 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.929 -1.107 . . . . 0.0 111.704 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.48 142.73 47.29 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -103.34 134.97 45.83 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.752 1.221 . . . . 0.0 109.74 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.93 113.61 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.414 -0.804 . . . . 0.0 108.838 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -87.85 92.75 9.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.64 121.63 5.56 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.068 -1.02 . . . . 0.0 111.646 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.7 -17.59 64.63 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -82.05 10.64 6.26 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.314 -1.491 . . . . 0.0 112.815 170.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 m120 80.39 7.44 1.49 Allowed 'General case' 0 C--N 1.352 0.68 0 C-N-CA 128.713 2.805 . . . . 0.0 112.643 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.68 70.13 10.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 122.621 1.2 . . . . 0.0 112.255 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.9 t -77.56 136.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 C-N-CA 125.427 1.491 . . . . 0.0 111.244 -176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.22 159.16 22.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 O-C-N 120.189 -1.569 . . . . 0.0 108.91 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 153.48 41.49 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 119.687 -1.883 . . . . 0.0 109.918 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -153.73 154.42 34.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.281 -0.887 . . . . 0.0 111.477 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -95.97 132.43 41.31 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.208 1.004 . . . . 0.0 111.803 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 tt -112.31 144.44 20.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 109.316 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -80.19 125.53 29.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.579 -1.326 . . . . 0.0 108.09 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -75.72 -7.34 54.12 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.437 -2.039 . . . . 0.0 116.338 -156.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.91 -47.5 71.56 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.22 -1.55 . . . . 0.0 113.315 167.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 p -74.2 140.68 76.72 Favored Pre-proline 0 C--N 1.348 0.54 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -163.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.21 172.73 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.484 2.123 . . . . 0.0 111.424 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.92 -28.52 60.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -47.92 -46.88 32.37 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 -172.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -34.68 77.72 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.662 -1.274 . . . . 0.0 112.328 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.72 -49.0 19.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.736 -1.228 . . . . 0.0 110.875 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -63.41 1.13 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.98 1.712 . . . . 0.0 114.172 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -71.87 -27.21 62.71 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.073 -1.017 . . . . 0.0 112.718 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.11 92.31 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.631 -1.293 . . . . 0.0 112.671 167.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.22 -42.06 98.96 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 119.77 -1.831 . . . . 0.0 113.122 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -54.68 -57.37 11.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.993 -1.067 . . . . 0.0 113.73 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -75.98 -26.12 56.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -82.45 -19.63 38.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.268 -2.145 . . . . 0.0 113.356 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.51 -42.78 13.26 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.856 -1.152 . . . . 0.0 112.521 169.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.34 42.46 1.75 Allowed Glycine 0 C--N 1.348 1.248 0 C-N-CA 125.054 1.311 . . . . 0.0 112.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.32 171.79 13.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.563 -0.963 . . . . 0.0 111.809 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 m -118.82 143.58 46.85 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.57 -1.331 . . . . 0.0 111.887 -171.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -26.47 67.03 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.556 -1.34 . . . . 0.0 113.192 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -49.28 -48.79 45.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 168.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.96 -32.72 8.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.572 -1.33 . . . . 0.0 111.963 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.39 120.87 18.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.749 -1.22 . . . . 0.0 111.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.19 99.75 7.85 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 119.425 -2.047 . . . . 0.0 108.481 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -101.98 145.17 29.65 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.754 -1.217 . . . . 0.0 111.439 -174.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 147.24 39.41 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 120.732 -1.23 . . . . 0.0 109.806 172.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -128.66 142.03 51.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 63.77 22.11 12.94 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 123.433 1.587 . . . . 0.0 111.396 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -18.36 22.39 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 120.083 -1.636 . . . . 0.0 114.361 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -113.13 164.72 14.84 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 126.137 1.775 . . . . 0.0 113.364 -161.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.93 117.3 5.01 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 122.316 2.011 . . . . 0.0 112.803 167.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -94.36 144.75 9.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 C-N-CA 125.555 1.542 . . . . 0.0 112.589 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.23 123.43 41.01 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.45 -1.406 . . . . 0.0 112.139 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -71.72 -2.75 18.52 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -85.54 -22.29 28.18 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.831 1.252 . . . . 0.0 111.731 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 122.17 20.0 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.688 -1.257 . . . . 0.0 109.638 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.6 p -79.22 147.37 68.94 Favored Pre-proline 0 C--N 1.347 0.488 0 O-C-N 119.924 -1.735 . . . . 0.0 111.206 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -70.49 -16.14 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 CA-C-N 123.415 2.255 . . . . 0.0 112.781 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -78.48 -24.72 45.76 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.541 1.064 . . . . 0.0 112.606 169.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.2 m -72.52 -41.71 65.58 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.159 -1.588 . . . . 0.0 110.604 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.32 -35.44 79.43 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.734 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 68.22 44.53 1.37 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.244 1.418 . . . . 0.0 113.843 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 52.0 mtm -95.91 -177.71 4.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.691 -1.255 . . . . 0.0 112.637 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -120.31 -176.57 3.24 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.43 1.092 . . . . 0.0 113.718 -162.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.97 86.53 7.37 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.121 -1.612 . . . . 0.0 113.217 -172.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.21 64.95 0.08 OUTLIER Glycine 0 C--N 1.346 1.118 0 O-C-N 121.036 -1.04 . . . . 0.0 111.59 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.99 160.86 16.16 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.843 . . . . 0.0 111.857 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -133.0 114.26 13.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.1 -1.625 . . . . 0.0 113.947 -169.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -114.27 138.64 43.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.655 -1.278 . . . . 0.0 111.679 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.84 138.52 31.92 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.094 -1.629 . . . . 0.0 111.748 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.96 116.35 42.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 122.605 1.193 . . . . 0.0 110.953 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.02 123.9 33.77 Favored 'General case' 0 N--CA 1.442 -0.867 0 O-C-N 121.104 -0.998 . . . . 0.0 108.663 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -136.36 137.59 40.73 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -70.39 0.21 Allowed 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.597 -0.69 . . . . 0.0 109.258 174.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -62.95 126.67 28.1 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.782 1.233 . . . . 0.0 112.314 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 p -87.58 162.39 17.2 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 122.988 1.375 . . . . 0.0 114.584 -164.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.65 -34.29 1.91 Allowed Glycine 0 C--N 1.345 1.072 0 C-N-CA 124.955 1.264 . . . . 0.0 110.539 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.445 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.499 2.022 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -88.22 65.93 8.27 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.727 -1.858 . . . . 0.0 109.945 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -137.01 -84.19 0.34 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 124.072 1.891 . . . . 0.0 109.834 -167.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' H ' ' A' ' 5' ' ' LYS . 3.6 pt-20 -145.56 -65.57 0.32 Allowed 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 128.366 2.666 . . . . 0.0 105.399 -165.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' H ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.36 105.19 4.0 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.504 2.322 . . . . 0.0 112.831 171.172 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.5 171.27 20.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.034 -1.041 . . . . 0.0 111.074 -171.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.47 44.27 6.6 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 120.809 -1.182 . . . . 0.0 115.958 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.76 93.17 0.05 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 115.606 1.002 . . . . 0.0 115.606 174.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.67 130.37 39.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.815 -1.403 . . . . 0.0 112.911 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -167.4 -171.84 1.8 Allowed 'General case' 0 C--N 1.344 0.358 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -40.81 109.34 0.11 Allowed 'General case' 0 C--N 1.352 0.674 0 C-N-CA 129.375 3.07 . . . . 0.0 116.904 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -139.08 159.81 41.26 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.18 142.21 42.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 C-N-CA 123.848 0.859 . . . . 0.0 110.686 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -86.44 123.12 31.32 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 112.721 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.47 140.01 40.04 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.552 1.541 . . . . 0.0 109.795 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -115.99 114.72 24.99 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.041 -1.037 . . . . 0.0 110.034 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.94 115.05 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 O-C-N 120.419 -1.425 . . . . 0.0 109.56 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.84 117.38 33.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.51 0.724 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.08 147.51 18.61 Favored Glycine 0 C--N 1.347 1.141 0 O-C-N 120.659 -1.276 . . . . 0.0 112.981 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.82 -19.64 65.78 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.502 -1.587 . . . . 0.0 112.692 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.07 -7.1 53.93 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 130.397 3.479 . . . . 0.0 113.507 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.265 27.0 m120 75.42 21.98 1.72 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.327 2.251 . . . . 0.0 114.839 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.07 131.8 35.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.56 -1.338 . . . . 0.0 110.392 158.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.55 117.34 23.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.442 0 O-C-N 120.779 -1.2 . . . . 0.0 109.273 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.26 147.11 32.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 120.51 -1.368 . . . . 0.0 111.037 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -115.9 134.73 54.68 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.044 -1.035 . . . . 0.0 110.26 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -141.37 177.68 7.94 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -134.35 144.26 48.15 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.35 -1.469 . . . . 0.0 112.312 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 tt -116.0 146.21 20.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 C-N-CA 124.418 1.087 . . . . 0.0 108.499 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -80.65 136.08 36.15 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.989 -1.695 . . . . 0.0 109.969 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.32 -23.37 62.42 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -167.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -75.83 -20.6 58.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 120.735 -1.228 . . . . 0.0 113.814 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -93.14 128.43 43.11 Favored Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 120.542 -1.349 . . . . 0.0 109.49 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.52 161.5 42.14 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 121.983 1.789 . . . . 0.0 112.933 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.64 -30.17 66.72 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -171.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -46.61 -44.79 18.55 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 126.9 2.08 . . . . 0.0 114.762 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -49.44 76.98 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.573 1.149 . . . . 0.0 111.933 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.54 -53.4 52.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.772 0.829 . . . . 0.0 112.105 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -53.63 55.95 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.998 1.319 . . . . 0.0 114.018 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -73.3 -32.23 64.49 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.756 -1.215 . . . . 0.0 112.23 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.479 -1.388 . . . . 0.0 113.197 169.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.82 -46.2 88.2 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.84 -1.162 . . . . 0.0 112.2 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -55.5 -49.33 72.85 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.21 -44.71 71.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -79.18 -32.07 44.04 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 121.245 -0.909 . . . . 0.0 113.322 -173.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.16 61.32 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.682 -1.261 . . . . 0.0 110.881 166.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 42.68 3.4 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.267 -0.896 . . . . 0.0 114.483 164.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -118.84 0.31 Allowed 'General case' 0 C--N 1.344 0.341 0 C-N-CA 124.454 1.102 . . . . 0.0 110.774 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -173.19 162.02 4.39 Favored 'General case' 0 CA--C 1.504 -0.816 0 O-C-N 119.782 -1.824 . . . . 0.0 106.582 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 tpt -77.15 -26.95 53.59 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 122.225 1.012 . . . . 0.0 111.942 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -40.42 -68.36 0.18 Allowed 'General case' 0 C--N 1.347 0.462 0 C-N-CA 127.486 2.314 . . . . 0.0 115.387 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.15 9.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.393 0 O-C-N 120.216 -1.552 . . . . 0.0 114.892 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.38 89.91 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.593 1.557 . . . . 0.0 108.866 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -92.51 87.36 5.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 119.392 -2.067 . . . . 0.0 112.459 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -81.98 131.31 35.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.539 1.535 . . . . 0.0 113.517 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -136.85 140.82 42.67 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.367 -1.458 . . . . 0.0 110.02 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -126.51 133.03 51.25 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.458 -1.401 . . . . 0.0 108.094 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.73 7.4 4.49 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.974 1.31 . . . . 0.0 112.073 -167.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.42 -15.14 63.83 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 120.135 -1.603 . . . . 0.0 112.511 -168.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -101.96 161.08 24.54 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.603 1.561 . . . . 0.0 112.665 -168.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -71.49 156.69 57.79 Favored 'Trans proline' 0 C--N 1.331 -0.367 0 CA-C-N 122.202 1.822 . . . . 0.0 111.494 167.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.2 143.9 28.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 CA-C-O 122.001 0.905 . . . . 0.0 110.533 -170.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.46 111.23 5.85 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 125.341 1.456 . . . . 0.0 113.246 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.35 -32.14 73.62 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.124 -1.61 . . . . 0.0 114.202 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.92 81.98 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.9 159.24 33.0 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 124.15 1.929 . . . . 0.0 115.838 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 p -91.91 159.34 38.21 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 127.123 2.169 . . . . 0.0 107.36 169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -73.26 -4.24 15.07 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 CA-C-N 122.774 2.026 . . . . 0.0 113.236 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -75.02 -31.95 61.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.048 0.939 . . . . 0.0 111.798 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -54.51 -35.48 63.21 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.302 -1.499 . . . . 0.0 113.624 174.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.1 mt -98.17 1.52 47.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.678 1.191 . . . . 0.0 112.707 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 46.32 60.81 3.05 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.743 1.617 . . . . 0.0 114.525 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.77 170.57 11.61 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.894 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -132.61 -90.1 0.41 Allowed 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.648 1.179 . . . . 0.0 109.624 -161.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.27 171.85 7.66 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.481 0.712 . . . . 0.0 109.749 156.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.91 17.38 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 124.43 1.014 . . . . 0.0 111.941 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.26 101.64 0.44 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.617 1.967 . . . . 0.0 115.117 -166.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.6 p -80.65 103.32 10.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.922 -1.112 . . . . 0.0 111.745 176.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 tt -101.32 120.7 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -90.41 115.95 27.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 123.332 1.539 . . . . 0.0 110.294 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -110.41 110.25 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.031 -1.668 . . . . 0.0 111.238 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -85.04 91.43 8.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.576 -1.328 . . . . 0.0 109.29 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -85.6 131.52 34.34 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.345 -0.847 . . . . 0.0 110.388 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -147.01 0.14 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -169.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -81.57 155.22 25.81 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.324 -2.11 . . . . 0.0 113.342 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . 0.281 29.4 m 67.18 85.42 0.14 Allowed 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 127.002 2.121 . . . . 0.0 112.372 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.45 -165.27 40.16 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 167.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.348 0 O-C-N 120.42 -1.636 . . . . 0.0 111.398 -176.4 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.41 -139.51 0.02 OUTLIER 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.284 1.434 . . . . 0.0 108.05 -167.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.54 146.83 31.1 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.434 -2.042 . . . . 0.0 109.59 154.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -81.25 60.63 4.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 122.795 1.284 . . . . 0.0 112.847 -169.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -75.88 -25.74 56.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.967 1.307 . . . . 0.0 112.052 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 147.03 24.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.807 -1.183 . . . . 0.0 111.839 172.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.1 -94.37 2.32 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.024 -1.048 . . . . 0.0 112.114 170.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.8 159.69 25.06 Favored Glycine 0 C--N 1.344 0.987 0 O-C-N 121.123 -1.222 . . . . 0.0 110.949 174.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.65 73.16 6.76 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 122.416 1.103 . . . . 0.0 113.353 -164.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.8 143.36 39.86 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 120.234 -1.541 . . . . 0.0 114.674 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.66 140.67 10.83 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 130.066 3.346 . . . . 0.0 118.705 -163.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -151.63 162.48 40.91 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.205 -1.559 . . . . 0.0 115.134 -160.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 pt -102.6 166.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 124.509 1.124 . . . . 0.0 109.031 168.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.03 97.03 3.63 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.004 -1.06 . . . . 0.0 109.972 -165.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.39 121.72 25.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.882 -1.136 . . . . 0.0 111.073 -172.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -109.24 95.59 5.73 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.075 1.35 . . . . 0.0 107.661 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 t -101.52 114.32 40.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.04 -1.037 . . . . 0.0 109.988 -172.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.53 103.4 13.08 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.276 -0.89 . . . . 0.0 111.99 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.22 137.34 16.28 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.838 -1.788 . . . . 0.0 113.675 173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -27.96 65.4 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.377 1.471 . . . . 0.0 112.904 175.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.23 22.64 0.21 Allowed 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.79 2.436 . . . . 0.0 114.045 172.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 66.53 22.99 10.51 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 126.689 1.996 . . . . 0.0 113.576 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.37 87.31 4.1 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.779 -1.201 . . . . 0.0 110.618 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -99.32 113.54 34.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 120.916 -1.115 . . . . 0.0 108.988 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -127.87 146.16 33.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.93 -1.106 . . . . 0.0 111.793 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -118.95 134.62 55.07 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.816 1.246 . . . . 0.0 111.459 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.16 159.25 41.32 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.593 0.757 . . . . 0.0 109.801 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -128.9 134.09 48.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.138 -1.601 . . . . 0.0 113.763 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -121.49 148.8 24.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.234 -1.541 . . . . 0.0 109.231 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.37 146.53 40.78 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.077 -1.639 . . . . 0.0 113.212 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -80.27 42.12 0.56 Allowed 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.608 1.706 . . . . 0.0 115.608 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -132.77 -43.22 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.839 1.655 . . . . 0.0 109.719 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -74.36 125.66 89.66 Favored Pre-proline 0 C--N 1.35 0.59 0 C-N-CA 125.021 1.328 . . . . 0.0 111.432 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.98 160.52 42.9 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 CA-C-N 123.364 2.237 . . . . 0.0 112.496 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.75 -35.42 80.67 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.206 1.403 . . . . 0.0 112.985 -170.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -42.97 -46.77 5.56 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.38 2.272 . . . . 0.0 116.484 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -65.38 -37.69 87.75 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.294 -1.503 . . . . 0.0 112.831 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.98 -40.06 83.18 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.938 -1.101 . . . . 0.0 111.208 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.0 mmt -55.47 -50.55 69.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.299 1.04 . . . . 0.0 112.85 171.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.86 -55.36 35.4 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 121.028 -1.045 . . . . 0.0 112.714 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.879 1.272 . . . . 0.0 114.204 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -66.03 -40.74 91.28 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.857 -1.152 . . . . 0.0 112.902 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.23 -54.69 40.95 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.618 -1.301 . . . . 0.0 112.971 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.38 -42.6 98.97 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.923 1.289 . . . . 0.0 112.788 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -67.4 -40.67 85.63 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.172 -1.58 . . . . 0.0 113.254 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.06 -45.36 85.69 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 121.143 -0.973 . . . . 0.0 112.546 172.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.46 34.62 1.41 Allowed Glycine 0 C--N 1.345 1.071 0 C-N-CA 124.404 1.002 . . . . 0.0 112.653 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.4 -177.12 4.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.434 1.094 . . . . 0.0 109.547 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -140.1 168.0 20.82 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 120.304 -1.498 . . . . 0.0 110.463 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 tpt -66.64 -25.54 66.63 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 -166.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -66.62 -16.17 63.99 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -171.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -91.79 -0.87 9.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.671 -1.268 . . . . 0.0 112.074 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.6 t -110.98 109.08 27.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 O-C-N 120.612 -1.305 . . . . 0.0 110.938 -170.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.69 96.49 7.96 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.668 -1.895 . . . . 0.0 108.982 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -88.84 139.86 30.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.307 -0.871 . . . . 0.0 110.74 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -134.43 131.52 38.26 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.624 -1.297 . . . . 0.0 111.004 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -104.45 115.28 30.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.56 25.45 13.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.122 1.439 . . . . 0.0 114.533 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.0 -1.81 86.86 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 120.062 -1.649 . . . . 0.0 114.513 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -118.73 171.06 5.64 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 124.965 1.306 . . . . 0.0 111.095 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.95 168.61 24.37 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 121.911 1.718 . . . . 0.0 112.377 166.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.85 151.99 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.27 125.86 35.64 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.22 -1.55 . . . . 0.0 111.535 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.82 -23.53 67.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.278 1.831 . . . . 0.0 115.112 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.26 -32.22 24.54 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.712 1.205 . . . . 0.0 112.648 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -75.53 162.37 28.36 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 122.73 1.252 . . . . 0.0 112.5 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 p -100.87 152.62 37.89 Favored Pre-proline 0 C--N 1.349 0.575 0 O-C-N 120.022 -1.674 . . . . 0.0 111.865 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 -16.87 31.74 Favored 'Trans proline' 0 CA--C 1.52 -0.179 0 C-N-CA 122.317 2.011 . . . . 0.0 111.563 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 m -76.69 -35.34 57.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 126.426 1.89 . . . . 0.0 110.431 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.9 m -65.22 -43.39 91.61 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.865 -1.147 . . . . 0.0 111.815 169.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.62 -47.58 39.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.312 70.9 mt-10 74.86 66.63 0.08 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.274 1.829 . . . . 0.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 mmt -115.07 11.07 16.32 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.697 1.199 . . . . 0.0 111.402 174.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.281 23.5 tt0 58.32 -108.19 0.4 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.264 1.426 . . . . 0.0 114.147 -168.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.54 135.71 13.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.345 1.069 . . . . 0.0 110.036 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.79 48.18 0.11 Allowed Glycine 0 CA--C 1.493 -1.291 0 O-C-N 120.205 -1.559 . . . . 0.0 110.057 -176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 92.12 4.7 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 129.568 3.147 . . . . 0.0 111.973 -156.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -86.07 129.46 34.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.437 -1.414 . . . . 0.0 113.718 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 tt -145.53 132.46 15.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 120.124 -1.61 . . . . 0.0 110.716 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.94 142.68 30.13 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.975 -1.703 . . . . 0.0 110.979 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.04 116.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 CA-C-O 122.519 1.152 . . . . 0.0 112.107 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.29 96.32 10.21 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.616 -1.303 . . . . 0.0 111.266 174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 129.63 36.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.042 1.337 . . . . 0.0 110.213 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.56 -11.49 59.65 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 76.24 162.19 0.24 Allowed 'General case' 0 C--N 1.351 0.664 0 C-N-CA 126.704 2.002 . . . . 0.0 115.51 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.0 m 73.13 94.8 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.919 2.088 . . . . 0.0 112.407 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.87 26.87 0.13 Allowed Glycine 0 C--N 1.35 1.36 0 O-C-N 120.444 -1.41 . . . . 0.0 115.764 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.848 0 O-C-N 120.448 -1.619 . . . . 0.0 111.239 177.024 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -70.56 -124.52 0.0 OUTLIER 'General case' 0 C--N 1.346 0.413 0 C-N-CA 126.49 1.916 . . . . 0.0 112.605 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.94 -38.16 53.89 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.848 2.059 . . . . 0.0 110.493 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -84.73 148.9 26.12 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.446 2.07 . . . . 0.0 113.347 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -78.58 81.13 4.93 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.787 1.235 . . . . 0.0 109.438 166.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.98 85.41 0.7 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.531 -1.356 . . . . 0.0 110.989 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.9 94.97 0.1 OUTLIER Glycine 0 CA--C 1.499 -0.959 0 O-C-N 121.4 -0.813 . . . . 0.0 111.14 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.69 -92.71 1.11 Allowed Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.551 ' HG2' ' H ' ' A' ' 10' ' ' THR 0.272 15.5 tt0 83.72 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.881 1.673 . . . . 0.0 112.053 174.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.551 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 14.4 t -161.5 174.83 12.85 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 119.695 -1.878 . . . . 0.0 108.898 -175.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.298 2.2 tp10 26.15 53.64 0.04 OUTLIER 'General case' 0 C--N 1.347 0.499 0 C-N-CA 131.568 3.947 . . . . 0.0 118.552 -171.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.2 139.54 50.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.52 1.528 . . . . 0.0 111.278 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 pt -97.38 154.96 3.66 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 O-C-N 121.334 -0.854 . . . . 0.0 110.878 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -101.68 113.06 25.87 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 110.807 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.63 114.54 26.89 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 121.289 -0.882 . . . . 0.0 109.723 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.2 111.93 24.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.124 1.369 . . . . 0.0 110.126 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.02 106.15 20.12 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 121.157 -0.964 . . . . 0.0 111.145 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.12 104.46 16.41 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.938 -1.101 . . . . 0.0 110.947 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.76 130.29 9.72 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 120.676 -1.265 . . . . 0.0 114.436 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -55.63 14.64 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.12 1.768 . . . . 0.0 112.503 170.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.47 23.25 0.41 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.091 2.557 . . . . 0.0 113.352 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 75.81 2.0 3.63 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 127.906 2.483 . . . . 0.0 114.789 167.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 108.53 16.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 121.029 -1.044 . . . . 0.0 111.278 174.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -110.65 133.26 56.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 O-C-N 120.596 -1.315 . . . . 0.0 109.903 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.2 m -133.55 164.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.727 -1.233 . . . . 0.0 110.003 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.67 133.74 19.29 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.315 -1.491 . . . . 0.0 110.625 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.57 162.53 23.86 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.748 -1.22 . . . . 0.0 111.864 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 142.37 51.55 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 121.317 -0.865 . . . . 0.0 110.685 169.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.26 148.66 17.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 O-C-N 120.888 -1.133 . . . . 0.0 108.688 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.46 141.72 34.97 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.12 -1.612 . . . . 0.0 110.485 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -56.38 -20.53 19.79 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 -167.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -79.2 -20.76 47.55 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.058 1.743 . . . . 0.0 114.619 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.2 m -97.25 128.56 34.61 Favored Pre-proline 0 C--N 1.347 0.473 0 O-C-N 120.642 -1.286 . . . . 0.0 108.294 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.06 164.48 35.37 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 CA-C-N 123.092 2.14 . . . . 0.0 112.432 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.91 -41.18 95.78 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.357 1.063 . . . . 0.0 112.875 -165.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -35.36 -46.98 0.4 Allowed 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.105 2.562 . . . . 0.0 116.032 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -38.3 85.31 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.012 -1.68 . . . . 0.0 112.784 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.2 -47.47 50.34 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 121.163 -0.961 . . . . 0.0 111.337 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.84 -51.22 70.48 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.669 1.188 . . . . 0.0 113.544 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.8 -45.71 93.33 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.205 1.002 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.08 94.16 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.94 -47.07 81.92 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.963 -1.086 . . . . 0.0 113.377 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.77 -42.17 91.16 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.196 -1.565 . . . . 0.0 113.721 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.83 -55.35 33.57 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.215 1.406 . . . . 0.0 113.464 170.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -73.52 -33.7 64.89 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.903 -1.123 . . . . 0.0 112.046 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.59 42.37 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.143 -1.598 . . . . 0.0 112.966 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.95 4.52 22.61 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 121.169 -0.957 . . . . 0.0 113.063 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 129.14 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 120.837 -1.39 . . . . 0.0 110.697 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -89.2 127.38 35.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.275 -1.516 . . . . 0.0 109.474 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.0 tpt -62.68 -35.1 78.58 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -162.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.8 -2.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 O-C-N 120.921 -1.112 . . . . 0.0 113.131 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.16 121.83 62.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 O-C-N 121.063 -1.023 . . . . 0.0 109.181 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.31 116.63 32.23 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.233 -1.542 . . . . 0.0 110.982 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -125.58 132.39 52.55 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -135.46 148.41 49.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.493 -1.379 . . . . 0.0 112.451 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.74 120.46 35.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.037 1.335 . . . . 0.0 108.13 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 54.58 39.8 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 122.704 1.24 . . . . 0.0 113.338 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -7.67 78.08 Favored Glycine 0 C--N 1.351 1.38 0 O-C-N 120.313 -1.492 . . . . 0.0 116.071 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.49 157.13 66.24 Favored Pre-proline 0 C--N 1.347 0.497 0 CA-C-N 119.171 1.485 . . . . 0.0 110.927 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.27 150.66 65.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 CA-C-N 122.963 2.094 . . . . 0.0 111.7 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 tt -117.18 136.97 52.63 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-O 122.523 1.154 . . . . 0.0 110.916 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -98.53 120.71 39.43 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.989 -1.069 . . . . 0.0 109.606 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.56 -24.25 63.68 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -166.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -77.23 -29.4 54.1 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.652 -1.28 . . . . 0.0 114.267 -165.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -86.49 176.39 7.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.842 1.306 . . . . 0.0 112.56 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -98.89 149.25 35.57 Favored Pre-proline 0 C--N 1.347 0.479 0 O-C-N 119.646 -1.909 . . . . 0.0 113.816 -171.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.51 1.58 8.65 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.143 1.895 . . . . 0.0 111.961 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -81.34 -32.6 32.94 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.97 1.308 . . . . 0.0 111.372 171.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -71.17 -41.77 69.93 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 120.001 -1.687 . . . . 0.0 112.469 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.03 -12.97 61.82 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.294 69.8 mt-10 29.61 71.09 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 115.844 -163.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.8 tpp -92.97 151.25 20.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.92 -94.56 0.1 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.492 -1.38 . . . . 0.0 111.913 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.92 140.03 34.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 158.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.32 59.16 0.07 OUTLIER Glycine 0 CA--C 1.486 -1.774 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.73 85.14 5.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 122.98 1.372 . . . . 0.0 109.272 -163.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.0 p -86.97 114.7 23.8 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.941 1.696 . . . . 0.0 113.999 -172.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -119.65 134.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 O-C-N 121.002 -1.061 . . . . 0.0 110.547 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.13 138.99 31.02 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.242 -1.536 . . . . 0.0 108.866 171.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.29 122.47 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 122.819 1.295 . . . . 0.0 109.653 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -106.05 108.77 20.45 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.598 -1.314 . . . . 0.0 108.057 170.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -94.48 152.5 18.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 120.65 -1.281 . . . . 0.0 108.724 168.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -76.25 144.34 40.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 119.648 -1.907 . . . . 0.0 112.901 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.85 114.01 5.36 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.444 -1.41 . . . . 0.0 109.731 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.3 m -103.07 -51.57 3.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.275 -0.891 . . . . 0.0 109.244 -167.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 86.31 0.06 OUTLIER Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.821 0 O-C-N 121.241 -1.153 . . . . 0.0 111.34 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 61.5 31.18 19.0 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.31 1.529 . . . . 0.0 111.962 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.48 -167.7 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 99.415 -4.291 . . . . 0.0 99.415 -158.723 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -58.8 167.98 1.38 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.36 1.064 . . . . 0.0 112.334 158.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -56.06 -73.38 0.06 Allowed 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.695 -1.878 . . . . 0.0 116.034 -171.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 103.02 163.63 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.909 3.284 . . . . 0.0 110.09 -167.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.21 -70.83 3.08 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.567 -1.333 . . . . 0.0 115.46 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.93 -85.25 0.07 OUTLIER Glycine 0 C--N 1.345 1.057 0 O-C-N 121.354 -1.086 . . . . 0.0 114.094 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 73.16 -31.85 0.23 Allowed 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.908 2.083 . . . . 0.0 116.463 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.4 p -70.84 171.33 10.81 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 119.859 -1.776 . . . . 0.0 114.475 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 35.34 64.69 0.44 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.276 2.63 . . . . 0.0 117.769 169.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -119.73 161.45 20.72 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.853 -1.155 . . . . 0.0 112.997 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -130.68 143.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 124.41 1.084 . . . . 0.0 109.17 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -99.74 148.66 24.15 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.687 -1.258 . . . . 0.0 113.076 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.19 151.68 37.92 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.372 1.069 . . . . 0.0 109.236 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.16 117.91 29.94 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.79 1.236 . . . . 0.0 110.291 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.6 121.3 61.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.569 -1.332 . . . . 0.0 110.016 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.02 99.45 9.2 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.124 -0.985 . . . . 0.0 110.903 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.29 132.69 12.95 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.204 -1.56 . . . . 0.0 114.057 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -10.69 60.05 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.767 -1.431 . . . . 0.0 112.697 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -85.71 5.56 31.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.672 2.389 . . . . 0.0 112.174 168.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 80.33 14.06 0.84 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 129.493 3.117 . . . . 0.0 113.376 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.07 76.93 8.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.214 -1.554 . . . . 0.0 112.348 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.48 117.3 30.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 O-C-N 120.267 -1.52 . . . . 0.0 110.109 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.44 160.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.968 -1.083 . . . . 0.0 110.256 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -150.84 145.25 25.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.835 -1.79 . . . . 0.0 112.292 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -141.64 165.21 28.1 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 109.678 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -125.81 146.09 49.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.75 0.786 . . . . 0.0 111.744 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.27 156.94 30.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 121.286 -0.883 . . . . 0.0 111.071 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.2 146.56 36.94 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.615 -1.303 . . . . 0.0 110.864 170.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -51.19 -45.21 61.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.702 2.001 . . . . 0.0 115.757 -171.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -2.0 58.31 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.808 1.643 . . . . 0.0 115.057 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.4 m -87.73 119.0 70.45 Favored Pre-proline 0 C--N 1.344 0.363 0 O-C-N 119.563 -1.961 . . . . 0.0 109.958 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.63 157.72 40.0 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.575 1.955 . . . . 0.0 112.836 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.93 -41.03 97.76 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.58 1.152 . . . . 0.0 112.793 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -42.56 -41.23 2.94 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 128.295 2.638 . . . . 0.0 115.955 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -24.53 62.84 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.077 -1.64 . . . . 0.0 112.9 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 tt -86.18 -45.49 11.29 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.272 1.029 . . . . 0.0 110.615 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.5 mmt -57.4 -48.61 78.64 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 120.51 -1.369 . . . . 0.0 113.882 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.3 -32.85 73.29 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.537 -1.352 . . . . 0.0 111.345 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.01 71.6 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.511 -1.368 . . . . 0.0 113.467 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -56.09 -53.01 62.13 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.884 -1.135 . . . . 0.0 112.086 172.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.6 -45.34 70.02 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.334 1.054 . . . . 0.0 113.701 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -50.56 46.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.028 1.731 . . . . 0.0 113.976 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.1 -42.28 56.93 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.982 -1.699 . . . . 0.0 113.16 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.61 -31.35 61.98 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.387 -1.446 . . . . 0.0 111.923 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.79 60.07 1.82 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 121.248 -0.907 . . . . 0.0 111.735 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.17 163.69 32.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.099 0.952 . . . . 0.0 111.284 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -88.45 146.02 25.45 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.743 -1.223 . . . . 0.0 108.584 172.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.23 -23.81 64.85 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.355 -1.466 . . . . 0.0 111.604 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -59.81 -27.52 66.66 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -96.69 -0.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.475 -1.391 . . . . 0.0 112.145 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.13 107.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.972 1.309 . . . . 0.0 108.031 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -123.49 107.29 11.41 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.479 -2.013 . . . . 0.0 111.02 -170.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -109.35 147.88 32.0 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -169.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 144.4 50.45 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.85 1.26 . . . . 0.0 109.743 175.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -124.11 115.78 21.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.416 1.886 . . . . 0.0 108.08 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 59.55 26.81 15.87 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 123.175 1.464 . . . . 0.0 112.826 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.5 -25.45 20.78 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 119.974 -1.704 . . . . 0.0 114.016 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -89.91 159.15 43.55 Favored Pre-proline 0 C--N 1.341 0.238 0 O-C-N 120.603 -1.528 . . . . 0.0 110.22 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -71.2 150.4 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 CA-C-N 123.561 2.307 . . . . 0.0 110.967 160.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 tt -107.07 164.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 O-C-N 121.301 -0.875 . . . . 0.0 108.738 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -117.18 153.27 33.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.866 -1.146 . . . . 0.0 108.253 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -106.12 -4.63 20.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -163.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.09 -36.93 58.71 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 119.33 -2.106 . . . . 0.0 115.799 -166.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.52 169.1 16.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.187 1.795 . . . . 0.0 114.691 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.7 p -87.76 147.86 42.32 Favored Pre-proline 0 C--N 1.351 0.65 0 O-C-N 120.454 -1.404 . . . . 0.0 108.117 165.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.03 -3.04 13.15 Favored 'Trans proline' 0 C--N 1.332 -0.298 0 C-N-CA 121.997 1.798 . . . . 0.0 113.526 -167.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -68.12 -26.36 65.76 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.756 -1.215 . . . . 0.0 114.237 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -76.28 -1.44 26.58 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.572 -1.33 . . . . 0.0 113.8 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -91.03 -24.44 20.06 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.923 -1.111 . . . . 0.0 112.499 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.263 75.2 mt-10 43.98 74.73 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.707 2.403 . . . . 0.0 116.699 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 tpp -127.25 -6.18 5.98 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.835 -1.165 . . . . 0.0 113.052 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.298 30.3 tt0 57.28 -88.84 0.02 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.272 1.429 . . . . 0.0 114.808 -153.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.26 176.89 11.21 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.684 -1.26 . . . . 0.0 110.859 -175.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.07 37.48 15.5 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 120.938 -1.101 . . . . 0.0 111.688 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.29 129.18 36.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.855 1.262 . . . . 0.0 111.137 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 p -109.88 90.76 3.4 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.604 1.192 . . . . 0.0 113.986 -163.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -101.85 141.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 O-C-N 119.966 -1.708 . . . . 0.0 111.252 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -109.02 150.34 27.91 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 119.962 -1.711 . . . . 0.0 110.605 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.68 130.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 122.95 1.357 . . . . 0.0 112.927 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.0 122.9 29.4 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 119.86 -1.775 . . . . 0.0 109.499 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -127.44 145.26 50.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -77.38 137.99 39.05 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.139 -1.601 . . . . 0.0 114.878 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -74.66 149.6 39.88 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.157 -1.589 . . . . 0.0 111.141 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -137.78 -105.07 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.89 64.36 0.05 OUTLIER Glycine 0 C--N 1.349 1.271 0 O-C-N 118.843 -2.411 . . . . 0.0 112.804 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.628 0 O-C-N 121.984 -0.715 . . . . 0.0 112.837 179.324 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m 61.39 -91.81 0.03 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 124.268 1.027 . . . . 0.0 110.784 -160.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -83.16 -137.74 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 164.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -81.54 -106.35 0.03 OUTLIER 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.588 -1.945 . . . . 0.0 112.292 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -95.13 148.52 22.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.993 -1.692 . . . . 0.0 109.778 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -144.08 178.24 8.01 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.8 -161.58 32.89 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 106.185 -2.766 . . . . 0.0 106.185 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.77 30.03 8.27 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-O 122.644 1.136 . . . . 0.0 110.447 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.09 126.28 30.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.73 1.612 . . . . 0.0 111.364 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -158.09 -129.48 0.03 OUTLIER 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.05 -1.031 . . . . 0.0 108.963 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.0 101.36 13.11 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 119.114 -2.241 . . . . 0.0 113.656 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -147.37 -179.54 6.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.404 -1.435 . . . . 0.0 110.484 -172.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 pt -127.8 142.89 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 120.76 -1.213 . . . . 0.0 108.328 161.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -92.61 99.81 12.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 165.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.19 133.07 40.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.303 -1.498 . . . . 0.0 111.653 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -91.75 112.73 24.77 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.928 -1.107 . . . . 0.0 111.007 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 t -110.71 112.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.748 0.819 . . . . 0.0 110.667 -170.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.39 119.8 39.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.198 -0.939 . . . . 0.0 110.732 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.41 147.9 16.93 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 123.108 1.393 . . . . 0.0 114.622 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.08 -16.0 62.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.564 1.546 . . . . 0.0 113.656 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -92.2 17.08 10.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.115 1.766 . . . . 0.0 112.119 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.54 16.19 1.58 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.336 2.254 . . . . 0.0 112.352 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 139.55 37.03 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 120.227 -1.546 . . . . 0.0 112.563 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.52 111.44 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 168.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.65 169.57 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 O-C-N 121.088 -1.007 . . . . 0.0 108.91 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -157.05 144.35 18.77 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.333 -1.479 . . . . 0.0 109.297 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -140.73 154.66 46.41 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 121.303 -0.873 . . . . 0.0 111.325 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -101.94 123.52 45.99 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 121.139 -0.976 . . . . 0.0 112.383 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.48 139.85 50.53 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 124.162 0.985 . . . . 0.0 109.713 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -62.89 144.37 56.76 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.06 -1.65 . . . . 0.0 111.501 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -66.26 -33.63 76.17 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.84 -1.788 . . . . 0.0 113.633 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -84.09 0.6 47.73 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 p -101.87 143.7 27.11 Favored Pre-proline 0 C--N 1.355 0.82 0 O-C-N 119.3 -2.125 . . . . 0.0 112.226 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.23 165.68 25.44 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.401 2.068 . . . . 0.0 114.397 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.11 -47.7 34.47 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.842 1.257 . . . . 0.0 114.132 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -40.27 -47.74 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.65 -48.5 72.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 113.193 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.89 -42.66 80.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.84 1.256 . . . . 0.0 111.471 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 95.5 mtp -56.34 -52.69 63.63 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.59 1.156 . . . . 0.0 112.829 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -64.01 -46.78 82.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.87 78.24 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -71.47 -41.77 68.95 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.067 -1.021 . . . . 0.0 112.528 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.3 m -59.08 -49.8 76.48 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.64 -1.288 . . . . 0.0 113.733 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.02 -33.69 71.03 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -73.74 -48.02 34.91 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.276 -1.515 . . . . 0.0 113.73 173.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.27 -35.46 77.34 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.944 -1.098 . . . . 0.0 112.039 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 4.07 58.75 Favored Glycine 0 CA--C 1.495 -1.189 0 O-C-N 121.143 -0.973 . . . . 0.0 112.825 166.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.07 -178.97 6.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.089 1.423 . . . . 0.0 113.916 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -110.29 114.62 28.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 120.593 -1.317 . . . . 0.0 109.856 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.1 ttm -59.86 -39.63 85.85 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -167.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -58.68 -30.4 67.34 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.5 11.04 2.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.07 -1.019 . . . . 0.0 112.389 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.08 108.7 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.576 1.551 . . . . 0.0 107.766 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -103.55 155.94 18.15 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 119.568 -1.957 . . . . 0.0 110.623 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -136.49 120.11 17.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.565 -0.709 . . . . 0.0 110.64 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.88 151.15 30.8 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.349 -1.469 . . . . 0.0 111.269 170.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -131.43 102.04 5.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.939 -1.101 . . . . 0.0 108.129 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 54.69 71.68 0.51 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.67 1.588 . . . . 0.0 113.421 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 -57.19 3.68 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 120.407 -1.433 . . . . 0.0 114.402 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -77.19 154.9 82.4 Favored Pre-proline 0 N--CA 1.444 -0.73 0 C-N-CA 125.78 1.632 . . . . 0.0 113.305 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.6 148.87 73.28 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.26 1.973 . . . . 0.0 111.254 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.13 144.12 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 122.074 0.94 . . . . 0.0 112.926 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -88.74 140.06 29.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.541 -1.35 . . . . 0.0 108.875 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -95.61 -21.57 18.15 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.811 1.244 . . . . 0.0 111.86 -168.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.0 -38.55 20.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.123 1.369 . . . . 0.0 113.436 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.43 171.74 12.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 123.604 1.669 . . . . 0.0 114.371 -174.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.3 p -104.76 156.44 35.96 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 125.491 1.516 . . . . 0.0 109.652 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 -6.88 19.76 Favored 'Trans proline' 0 C--N 1.332 -0.338 0 CA-C-N 122.303 1.858 . . . . 0.0 112.873 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 p -72.08 -35.2 69.19 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.053 1.297 . . . . 0.0 111.845 164.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -70.38 -17.47 63.04 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 119.712 -1.867 . . . . 0.0 113.531 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.56 8.63 17.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.398 1.079 . . . . 0.0 111.198 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.307 44.7 mt-10 23.92 75.42 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.888 2.475 . . . . 0.0 117.554 -164.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.1 mmt -98.89 166.38 11.32 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.422 1.089 . . . . 0.0 111.739 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -102.71 -70.25 0.76 Allowed 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.744 -1.223 . . . . 0.0 114.041 -157.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 166.83 134.49 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.16 2.184 . . . . 0.0 107.665 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.45 22.96 78.09 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 120.423 -1.423 . . . . 0.0 113.446 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.18 137.38 48.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.584 1.153 . . . . 0.0 111.388 -170.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.2 p -93.76 118.8 31.9 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.128 -1.608 . . . . 0.0 114.874 -164.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -111.58 142.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 123.826 0.85 . . . . 0.0 109.46 170.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 148.12 26.64 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.316 -1.49 . . . . 0.0 109.808 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 t -124.05 131.03 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 122.476 1.131 . . . . 0.0 109.419 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -112.81 86.15 2.31 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 120.859 -1.151 . . . . 0.0 109.725 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 152.07 19.06 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.561 -1.337 . . . . 0.0 111.24 170.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.13 73.79 3.71 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 123.079 1.419 . . . . 0.0 113.205 170.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 70.69 -42.16 0.52 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 170.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t -109.43 153.83 23.46 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.27 -1.518 . . . . 0.0 111.246 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.21 18.4 12.23 Favored Glycine 0 C--N 1.345 1.043 0 C-N-CA 124.988 1.28 . . . . 0.0 110.814 165.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.587 0 C-N-CA 125.578 1.561 . . . . 0.0 109.809 -179.258 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 61.93 -121.69 0.73 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.897 1.679 . . . . 0.0 114.155 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -78.13 88.17 4.23 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.516 -1.365 . . . . 0.0 109.442 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -131.39 173.42 11.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 123.744 1.735 . . . . 0.0 112.255 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -78.01 7.85 5.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.053 2.541 . . . . 0.0 114.867 -175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -117.49 25.34 10.49 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.564 -1.335 . . . . 0.0 111.232 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.34 71.71 0.28 Allowed Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 171.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.48 100.34 0.22 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -166.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.29 177.14 8.16 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.59 -1.535 . . . . 0.0 111.899 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m -53.46 -55.91 21.32 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.185 1.394 . . . . 0.0 112.449 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -164.95 154.8 13.4 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 1.5 t-160 -160.17 67.31 0.36 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 120.901 1.682 . . . . 0.0 111.595 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -58.96 158.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.93 141.09 37.92 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.045 -1.659 . . . . 0.0 110.326 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.75 153.06 46.03 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 164.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -121.9 135.48 54.88 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.234 -0.916 . . . . 0.0 109.276 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.17 112.78 39.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 O-C-N 120.488 -1.382 . . . . 0.0 110.748 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -94.97 104.94 16.83 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.592 1.157 . . . . 0.0 109.77 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.56 129.8 9.94 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 120.196 -1.565 . . . . 0.0 111.288 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.1 -23.53 67.18 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.272 -1.134 . . . . 0.0 114.013 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.28 44.2 0.07 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.29 -1.506 . . . . 0.0 112.585 160.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 66.79 -26.78 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.335 2.654 . . . . 0.0 117.464 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.53 112.49 6.07 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.61 125.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.652 -1.28 . . . . 0.0 109.599 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -135.03 140.5 45.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.609 -1.307 . . . . 0.0 109.094 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -106.83 152.86 23.32 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.548 -1.345 . . . . 0.0 110.525 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -147.96 167.02 25.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.136 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HE3' ' CG ' ' A' ' 12' ' ' HIS . 26.8 mtmt -115.11 148.1 39.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.002 -1.061 . . . . 0.0 110.265 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 HG12 ' H ' ' A' ' 30' ' ' LYS . 12.8 tt -140.78 -179.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' H ' HG12 ' A' ' 29' ' ' ILE . 89.6 mttt -115.57 138.41 51.08 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 119.555 -1.965 . . . . 0.0 107.683 174.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.2 -6.31 38.58 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.718 2.007 . . . . 0.0 113.692 -165.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.47 -23.79 67.4 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.467 1.507 . . . . 0.0 113.626 163.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.72 132.02 50.29 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 120.298 -1.501 . . . . 0.0 112.491 -166.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.15 165.09 32.79 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 CA-C-N 123.324 2.223 . . . . 0.0 112.382 170.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.03 -41.19 64.48 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 121.148 -0.97 . . . . 0.0 112.509 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -50.58 -45.88 57.53 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -55.19 -42.81 73.75 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.404 -1.435 . . . . 0.0 113.85 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.84 -45.37 82.46 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.872 -1.143 . . . . 0.0 112.028 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.7 mtm -63.06 -48.67 77.69 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 120.975 -1.078 . . . . 0.0 113.875 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -61.45 -35.05 76.51 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.437 -0.789 . . . . 0.0 113.065 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.64 55.26 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.537 -1.352 . . . . 0.0 112.823 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -60.71 -48.31 82.36 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.358 -1.464 . . . . 0.0 114.507 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.818 -1.177 . . . . 0.0 113.636 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.54 -26.63 60.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -69.34 -41.57 76.46 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.089 -2.257 . . . . 0.0 111.866 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.0 38.96 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.717 170.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.15 47.24 0.89 Allowed Glycine 0 CA--C 1.499 -0.934 0 C-N-CA 125.293 1.425 . . . . 0.0 111.311 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.64 165.76 25.59 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.285 -1.126 . . . . 0.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -89.97 129.84 36.25 Favored 'General case' 0 CA--C 1.506 -0.73 0 O-C-N 120.853 -1.154 . . . . 0.0 111.598 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.16 -33.4 67.38 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.93 -24.69 54.45 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.64 -24.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 119.675 -1.891 . . . . 0.0 111.809 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.49 103.03 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 126.223 1.809 . . . . 0.0 110.448 -170.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.97 102.35 13.35 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.394 -2.067 . . . . 0.0 111.817 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -89.02 144.38 26.2 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.629 1.171 . . . . 0.0 112.243 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -137.67 153.72 49.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 121.094 -1.004 . . . . 0.0 110.043 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -139.78 136.54 34.2 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.432 -1.418 . . . . 0.0 109.132 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.01 36.14 21.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 123.321 1.534 . . . . 0.0 113.852 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 -30.75 6.21 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.57 -1.331 . . . . 0.0 114.367 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -112.55 163.22 18.37 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.294 -1.121 . . . . 0.0 112.331 -159.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.1 168.09 25.65 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.879 2.386 . . . . 0.0 111.228 170.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 tp -137.02 138.48 45.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-O 122.617 1.198 . . . . 0.0 111.849 -174.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -79.83 121.63 25.64 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.83 -1.169 . . . . 0.0 110.928 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -74.99 -6.41 49.2 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -167.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -77.15 -30.52 55.08 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.633 1.173 . . . . 0.0 113.563 -175.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -74.78 168.31 20.11 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.837 1.303 . . . . 0.0 113.147 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.2 p -113.37 153.87 45.51 Favored Pre-proline 0 C--O 1.234 0.28 0 O-C-N 120.299 -1.501 . . . . 0.0 111.074 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.52 -8.32 20.46 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 121.836 1.691 . . . . 0.0 112.178 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 p -71.73 -31.11 66.35 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.318 1.847 . . . . 0.0 111.907 169.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -51.78 15.74 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.764 1.269 . . . . 0.0 110.67 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.26 -43.98 97.99 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.788 1.635 . . . . 0.0 114.175 -176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.26 47.4 mt-10 69.52 46.92 0.7 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.018 1.327 . . . . 0.0 111.508 -169.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 ptp -76.59 160.7 29.2 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.769 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -110.25 164.43 12.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 123.246 1.498 . . . . 0.0 111.053 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.42 55.14 0.23 Allowed 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 119.383 -2.073 . . . . 0.0 113.962 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.66 17.19 0.05 OUTLIER Glycine 0 CA--C 1.498 -0.973 0 O-C-N 119.8 -1.813 . . . . 0.0 114.697 171.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -85.3 135.14 34.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.783 1.292 . . . . 0.0 114.242 -159.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -84.39 118.83 24.5 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.961 1.304 . . . . 0.0 113.493 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -97.58 138.55 22.12 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.961 -1.087 . . . . 0.0 109.059 163.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 145.13 26.75 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.49 -1.381 . . . . 0.0 109.644 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.7 107.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 122.725 1.25 . . . . 0.0 109.539 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -85.03 95.08 8.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.716 1.207 . . . . 0.0 110.742 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.3 158.67 26.07 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 124.761 1.224 . . . . 0.0 112.547 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -135.67 62.78 1.62 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.765 -1.209 . . . . 0.0 111.529 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.56 -72.49 0.1 Allowed 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -72.16 91.56 1.29 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.92 1.688 . . . . 0.0 113.386 -165.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.5 47.71 0.34 Allowed Glycine 0 C--N 1.349 1.274 0 O-C-N 120.322 -1.486 . . . . 0.0 112.934 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.635 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -178.723 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.868 -0.587 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -124.02 -95.51 0.47 Allowed 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 168.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.63 -105.97 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.473 1.109 . . . . 0.0 112.815 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.87 -38.44 15.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.073 -1.642 . . . . 0.0 109.415 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.52 49.73 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 124.029 1.871 . . . . 0.0 113.852 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -101.73 158.7 15.92 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.655 1.182 . . . . 0.0 109.391 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.28 109.81 0.41 Allowed Glycine 0 CA--C 1.489 -1.593 0 O-C-N 120.065 -1.647 . . . . 0.0 110.954 -169.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.8 69.16 0.08 OUTLIER Glycine 0 CA--C 1.494 -1.229 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -146.18 167.19 24.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 121.715 -0.873 . . . . 0.0 109.1 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -150.57 -61.88 0.19 Allowed 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.255 -0.903 . . . . 0.0 110.84 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.76 159.03 43.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.631 -1.293 . . . . 0.0 110.317 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -168.94 103.39 0.39 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.039 1.335 . . . . 0.0 108.819 -166.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 pt -99.04 152.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 119.651 -1.905 . . . . 0.0 112.843 -164.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -91.43 132.95 35.88 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.16 0.984 . . . . 0.0 112.465 -172.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 138.17 49.13 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.12 1.368 . . . . 0.0 107.936 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -118.55 117.07 27.99 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.15 -1.594 . . . . 0.0 111.99 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.69 119.63 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 120.577 -1.327 . . . . 0.0 109.565 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.93 100.58 10.12 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.135 0.974 . . . . 0.0 110.411 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.1 139.28 15.59 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 120.171 -1.58 . . . . 0.0 113.878 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -68.67 -7.7 35.76 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.291 -1.711 . . . . 0.0 113.564 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.78 -3.29 43.64 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.347 -2.096 . . . . 0.0 112.716 166.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 93.77 2.01 0.07 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 129.85 3.26 . . . . 0.0 111.874 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 121.95 25.72 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.762 -1.837 . . . . 0.0 112.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -114.9 109.76 29.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.932 -1.105 . . . . 0.0 109.216 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.51 130.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 O-C-N 120.797 -1.189 . . . . 0.0 110.676 -171.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -97.52 127.69 43.68 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.542 -1.349 . . . . 0.0 112.079 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -116.78 -175.26 2.73 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.359 1.464 . . . . 0.0 108.736 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 1.3 ttmp? -146.15 133.0 20.09 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 119.832 -1.792 . . . . 0.0 111.756 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.82 138.22 49.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 O-C-N 120.263 -1.523 . . . . 0.0 111.527 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -72.07 109.65 6.01 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.289 -2.132 . . . . 0.0 109.34 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -72.26 49.74 0.2 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -140.2 -48.63 0.45 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.3 2.24 . . . . 0.0 107.043 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -76.88 128.08 82.35 Favored Pre-proline 0 C--N 1.347 0.49 0 CA-C-O 117.089 -1.434 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.13 176.25 9.81 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.596 2.197 . . . . 0.0 113.436 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -51.82 -36.24 47.23 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.773 2.429 . . . . 0.0 114.73 -169.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -41.7 -47.09 3.94 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.597 1.959 . . . . 0.0 115.543 172.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -62.09 -38.48 89.0 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.683 -1.261 . . . . 0.0 112.706 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.23 -55.88 6.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.351 -0.843 . . . . 0.0 110.923 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.3 mtm -67.75 -34.08 76.13 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -172.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.38 -44.5 71.35 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.025 -1.672 . . . . 0.0 110.413 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.71 98.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.793 -1.817 . . . . 0.0 114.315 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.44 8.46 5.1 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.02 -70.03 0.66 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.616 -1.302 . . . . 0.0 108.905 156.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.83 -50.69 71.27 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -170.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -86.0 9.08 18.12 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.477 -1.39 . . . . 0.0 112.758 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.97 -48.28 5.48 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 121.095 -1.003 . . . . 0.0 109.339 159.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.52 29.41 1.18 Allowed Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.494 1.521 . . . . 0.0 113.515 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -135.12 -175.45 3.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.756 1.223 . . . . 0.0 108.762 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.7 m -134.03 164.07 28.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 108.989 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -31.95 31.3 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 120.138 -1.601 . . . . 0.0 112.01 -171.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -54.51 -20.44 7.77 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.82 -0.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 119.989 -1.694 . . . . 0.0 113.788 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.5 t -107.14 142.12 20.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.701 -1.249 . . . . 0.0 109.259 -177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.15 137.99 50.62 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 119.359 -2.088 . . . . 0.0 107.937 167.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.18 151.98 36.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 120.498 -1.376 . . . . 0.0 111.513 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.6 150.8 45.43 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.44 -0.787 . . . . 0.0 111.511 177.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -127.81 129.91 47.79 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 57.94 24.06 10.57 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 123.882 1.801 . . . . 0.0 113.177 -168.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -0.31 82.8 Favored Glycine 0 C--N 1.349 1.251 0 O-C-N 119.467 -2.02 . . . . 0.0 114.775 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -111.8 155.26 43.45 Favored Pre-proline 0 N--CA 1.451 -0.396 0 O-C-N 120.772 -1.428 . . . . 0.0 112.36 -175.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.92 105.01 1.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.512 2.141 . . . . 0.0 111.711 166.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.5 162.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 125.186 1.394 . . . . 0.0 110.986 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -82.71 158.01 23.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.445 -2.034 . . . . 0.0 112.454 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -32.2 34.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 119.831 -1.793 . . . . 0.0 111.356 169.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.57 35.71 1.11 Allowed 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 120.422 -1.424 . . . . 0.0 111.113 168.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.92 170.89 15.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 119.706 -1.871 . . . . 0.0 112.242 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.4 p -116.99 133.14 23.14 Favored Pre-proline 0 C--N 1.344 0.334 0 O-C-N 121.096 -1.002 . . . . 0.0 110.531 -169.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.98 20.77 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.944 2.43 . . . . 0.0 113.312 -168.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -73.82 -42.78 60.41 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.637 -1.29 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 m -71.63 -7.04 45.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.561 -1.337 . . . . 0.0 114.07 177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.79 -7.77 59.63 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.757 1.223 . . . . 0.0 111.399 175.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 63.99 17.82 10.83 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.17 1.388 . . . . 0.0 114.081 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . 0.375 18.6 ptp 42.86 58.14 3.33 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -161.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.88 -169.95 2.83 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.828 -1.17 . . . . 0.0 110.899 169.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.14 158.35 42.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 120.645 -1.284 . . . . 0.0 108.648 162.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.97 27.79 13.2 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 120.637 -1.289 . . . . 0.0 111.15 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.04 102.69 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 130.311 3.444 . . . . 0.0 114.456 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 p -82.88 100.93 10.67 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.306 -1.496 . . . . 0.0 113.18 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 tt -98.46 125.1 51.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 122.403 1.097 . . . . 0.0 109.908 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 138.76 31.31 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.056 -1.652 . . . . 0.0 110.599 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -126.99 129.32 71.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.067 0.937 . . . . 0.0 113.113 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -117.7 161.13 20.18 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.78 1.632 . . . . 0.0 108.666 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -128.95 171.74 12.03 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 123.133 1.444 . . . . 0.0 114.057 -161.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.05 168.39 20.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.334 1.054 . . . . 0.0 112.482 168.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -76.28 144.26 40.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.262 -1.524 . . . . 0.0 111.681 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -66.18 -42.26 89.15 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.167 -1.583 . . . . 0.0 113.243 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.4 -160.31 33.91 Favored Glycine 0 CA--C 1.496 -1.141 0 N-CA-C 107.616 -2.193 . . . . 0.0 107.616 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.729 0 C-N-CA 125.604 1.573 . . . . 0.0 109.736 170.546 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -76.98 163.56 26.6 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.274 -0.892 . . . . 0.0 108.988 161.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -80.71 71.16 7.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 123.368 1.556 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.96 -69.75 0.63 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.778 1.231 . . . . 0.0 108.545 167.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -90.58 -55.52 3.55 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.865 -1.147 . . . . 0.0 113.817 -173.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 116.06 19.15 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.99 -1.694 . . . . 0.0 112.796 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.23 -99.39 0.14 Allowed Glycine 0 CA--C 1.496 -1.122 0 O-C-N 119.978 -1.701 . . . . 0.0 111.714 -173.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 92.76 1.03 Allowed Glycine 0 C--N 1.345 1.063 0 C-N-CA 124.7 1.143 . . . . 0.0 112.328 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.93 -100.29 0.31 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.345 0.658 . . . . 0.0 110.613 -172.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.388 68.1 p 69.85 -117.15 0.12 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.938 -1.726 . . . . 0.0 113.61 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -95.93 88.56 4.94 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 120.298 -1.501 . . . . 0.0 114.417 -170.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -120.42 163.08 18.44 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.312 -1.493 . . . . 0.0 114.152 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.09 169.52 20.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 108.258 161.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -136.02 86.56 2.24 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.164 -0.96 . . . . 0.0 110.994 -164.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.9 140.73 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 122.644 1.211 . . . . 0.0 114.095 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -114.58 103.84 11.41 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 126.671 1.989 . . . . 0.0 107.862 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -104.42 109.4 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 120.975 -1.078 . . . . 0.0 110.123 -170.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.82 100.87 10.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.782 -1.199 . . . . 0.0 110.686 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.43 121.39 9.93 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 120.904 -1.123 . . . . 0.0 111.201 169.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.79 -12.1 61.35 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.704 1.24 . . . . 0.0 114.086 -173.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -73.33 -21.81 60.46 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.253 2.221 . . . . 0.0 112.74 167.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 108.9 13.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 1 C-N-CA 131.709 4.003 . . . . 0.0 110.39 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 74.65 10.09 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.074 -1.641 . . . . 0.0 112.373 172.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.97 109.99 13.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 O-C-N 119.644 -1.91 . . . . 0.0 111.217 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.11 175.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.779 -1.201 . . . . 0.0 110.696 -175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.37 159.77 34.21 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 119.816 -1.802 . . . . 0.0 110.155 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -164.29 -171.44 2.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.055 0.542 . . . . 0.0 109.62 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -129.53 153.19 48.27 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.829 -1.169 . . . . 0.0 110.878 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.9 tt -134.35 161.25 40.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -83.65 144.76 29.19 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.315 -1.491 . . . . 0.0 108.34 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -67.95 -24.97 65.23 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.572 -1.955 . . . . 0.0 114.057 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -27.61 61.65 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.95 1.3 . . . . 0.0 114.221 176.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -96.15 141.71 23.53 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 119.551 -1.968 . . . . 0.0 112.36 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.14 162.08 26.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.608 1.539 . . . . 0.0 112.172 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.33 -34.38 78.19 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.778 1.231 . . . . 0.0 113.067 -170.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -50.77 -41.49 56.9 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.48 1.512 . . . . 0.0 114.567 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.982 1.313 . . . . 0.0 113.038 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.33 -34.63 23.65 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.38 -1.45 . . . . 0.0 111.98 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.8 mmt -56.65 -46.45 81.03 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.08 -1.638 . . . . 0.0 113.028 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -67.56 -17.48 64.66 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.23 -56.1 4.95 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.619 -1.926 . . . . 0.0 111.306 168.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -34.86 79.46 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.04 -62.35 1.72 Allowed 'General case' 0 C--N 1.354 0.766 0 O-C-N 121.235 -0.915 . . . . 0.0 112.964 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.77 -28.54 62.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.234 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 119.828 -1.795 . . . . 0.0 113.403 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -45.35 52.57 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.413 1.085 . . . . 0.0 111.77 171.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 41.67 2.51 Favored Glycine 0 C--N 1.345 1.083 0 C-N-CA 125.164 1.364 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.94 -173.95 2.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 121.238 -1.154 . . . . 0.0 110.875 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 m -130.67 151.03 51.57 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.329 -1.482 . . . . 0.0 109.828 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.7 ttm -68.18 -36.35 79.46 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -166.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.63 4.78 0.97 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.42 -10.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 119.542 -1.974 . . . . 0.0 112.09 166.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -107.91 97.44 5.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.344 1.058 . . . . 0.0 109.823 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -114.26 112.4 23.06 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.432 -1.418 . . . . 0.0 112.166 -170.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -86.21 147.2 26.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.999 1.319 . . . . 0.0 113.475 -176.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -139.38 135.26 33.49 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.884 -1.135 . . . . 0.0 109.17 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -133.88 128.29 34.31 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.461 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 65.88 9.88 6.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.637 1.575 . . . . 0.0 113.517 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.88 -11.19 59.02 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 119.463 -2.023 . . . . 0.0 112.441 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -111.92 168.67 7.29 Favored Pre-proline 0 N--CA 1.451 -0.416 0 O-C-N 121.056 -1.261 . . . . 0.0 111.699 -171.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.36 165.84 31.5 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.975 1.783 . . . . 0.0 110.612 156.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -136.58 145.14 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -96.79 139.12 33.31 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.397 -1.439 . . . . 0.0 109.623 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.71 -6.24 45.61 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 -170.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -80.12 -32.58 39.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.532 1.533 . . . . 0.0 114.336 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -76.64 128.49 34.8 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.002 -1.061 . . . . 0.0 112.921 -171.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.4 p -95.06 154.89 39.52 Favored Pre-proline 0 C--N 1.348 0.513 0 O-C-N 120.444 -1.41 . . . . 0.0 110.373 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.27 -8.1 21.44 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.884 1.723 . . . . 0.0 112.448 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 p -70.83 -51.85 24.1 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.898 1.681 . . . . 0.0 111.004 163.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.4 m -66.85 -35.28 79.68 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.562 -1.337 . . . . 0.0 113.173 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.98 -8.65 59.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 33.96 20.95 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.993 1.717 . . . . 0.0 115.522 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.3 mmt -83.89 165.61 18.58 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.522 -1.986 . . . . 0.0 115.621 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.63 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.9 1.68 . . . . 0.0 113.47 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.54 155.96 20.32 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.08 -1.012 . . . . 0.0 110.794 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.68 45.95 1.17 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 125.308 1.432 . . . . 0.0 110.212 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.74 103.78 16.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 124.817 1.247 . . . . 0.0 113.831 -139.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.4 p -86.19 129.61 34.79 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.764 -1.835 . . . . 0.0 114.812 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.06 147.64 15.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -110.13 154.4 23.35 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 119.43 -2.044 . . . . 0.0 112.924 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.69 126.96 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-O 123.451 1.596 . . . . 0.0 111.785 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -91.95 98.85 11.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.088 -1.632 . . . . 0.0 109.434 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -109.97 157.53 19.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 162.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.51 -167.4 1.56 Allowed 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.028 -1.045 . . . . 0.0 109.516 173.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.67 -43.05 80.01 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.117 -1.614 . . . . 0.0 114.089 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.9 m 68.5 75.34 0.26 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.902 1.281 . . . . 0.0 114.141 164.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.53 -49.02 0.05 OUTLIER Glycine 0 C--N 1.348 1.235 0 O-C-N 120.34 -1.475 . . . . 0.0 115.163 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.676 0 O-C-N 120.975 -1.309 . . . . 0.0 112.433 -175.069 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.322 -0.371 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m 53.55 27.14 6.28 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 42.68 35.75 0.73 Allowed 'General case' 0 C--N 1.35 0.6 0 C-N-CA 128.397 2.679 . . . . 0.0 117.372 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.22 121.74 13.88 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.565 -1.335 . . . . 0.0 112.037 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm 65.1 22.19 12.28 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.738 1.615 . . . . 0.0 114.24 -173.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -125.51 -161.85 1.07 Allowed 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.211 -1.555 . . . . 0.0 109.595 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 163.64 28.87 Favored Glycine 0 CA--C 1.499 -0.918 0 N-CA-C 107.107 -2.397 . . . . 0.0 107.107 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.0 65.93 2.85 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 120.843 -1.387 . . . . 0.0 113.318 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -128.31 115.73 18.74 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.436 -1.626 . . . . 0.0 114.27 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.7 m -80.73 -81.93 0.12 Allowed 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.429 1.092 . . . . 0.0 111.896 175.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.47 121.2 39.1 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.989 -1.694 . . . . 0.0 114.81 -163.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -153.9 -174.6 5.02 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.098 -1.626 . . . . 0.0 109.637 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -129.98 161.22 40.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.867 0.841 . . . . 0.0 109.414 164.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.71 153.41 18.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.462 1.905 . . . . 0.0 110.615 169.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.35 144.91 44.87 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.227 -0.92 . . . . 0.0 110.938 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -108.88 115.66 30.51 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.688 -1.257 . . . . 0.0 110.942 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -109.13 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-O 121.95 0.881 . . . . 0.0 109.728 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.37 103.33 15.98 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.344 -1.472 . . . . 0.0 111.583 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 124.49 7.08 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.475 -1.39 . . . . 0.0 114.611 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.25 -34.95 24.88 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.96 -5.61 39.78 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.367 -1.458 . . . . 0.0 114.795 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.293 22.8 m120 98.9 -7.62 0.04 OUTLIER 'General case' 0 C--N 1.349 0.563 0 C-N-CA 129.381 3.072 . . . . 0.0 113.452 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.19 75.61 3.75 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 119.933 -1.729 . . . . 0.0 112.585 170.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -79.54 127.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 C-N-CA 125.784 1.634 . . . . 0.0 109.716 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.22 153.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 CA-C-O 122.786 1.279 . . . . 0.0 112.314 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.76 122.78 47.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.708 -1.245 . . . . 0.0 109.845 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -107.22 166.3 10.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.571 1.176 . . . . 0.0 110.157 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -130.71 137.87 49.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 tt -143.49 140.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 O-C-N 120.716 -1.24 . . . . 0.0 110.152 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -78.32 139.37 38.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.319 -1.488 . . . . 0.0 109.213 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -62.9 -31.62 72.72 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -159.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -78.98 -12.03 60.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.4 m -84.17 125.95 71.06 Favored Pre-proline 0 C--N 1.344 0.353 0 O-C-N 120.215 -1.553 . . . . 0.0 111.5 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.35 149.83 51.5 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 CA-C-N 122.818 2.042 . . . . 0.0 111.987 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.0 -45.08 83.27 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.823 1.249 . . . . 0.0 112.933 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -38.83 -48.66 1.56 Allowed 'General case' 0 C--N 1.343 0.31 0 C-N-CA 128.254 2.621 . . . . 0.0 117.186 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.126 -0.983 . . . . 0.0 112.685 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -91.7 -52.32 4.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.504 -1.373 . . . . 0.0 110.198 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -50.03 75.29 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.184 1.394 . . . . 0.0 113.478 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -68.64 -24.57 64.56 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.417 -1.427 . . . . 0.0 113.329 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.26 77.74 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.564 -1.335 . . . . 0.0 112.185 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -67.19 -35.54 79.85 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.78 -1.825 . . . . 0.0 112.688 167.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.3 m -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.504 -1.372 . . . . 0.0 113.701 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -59.49 -48.84 80.11 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.378 1.071 . . . . 0.0 113.357 169.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -63.04 -43.93 97.32 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.463 1.105 . . . . 0.0 113.487 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.76 63.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.566 -1.334 . . . . 0.0 112.137 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.43 51.49 1.31 Allowed Glycine 0 C--N 1.345 1.075 0 C-N-CA 125.18 1.371 . . . . 0.0 110.851 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -148.54 -178.15 6.17 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 121.156 -1.202 . . . . 0.0 112.37 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.8 m -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.877 -1.139 . . . . 0.0 110.433 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.46 4.0 12.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.259 1.504 . . . . 0.0 114.068 -178.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.92 -63.55 1.06 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.66 1.984 . . . . 0.0 111.034 162.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.2 -41.4 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.551 1.14 . . . . 0.0 112.789 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.33 129.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 O-C-N 121.028 -1.045 . . . . 0.0 109.78 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -113.08 173.59 6.32 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.22 -1.55 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.69 159.44 44.52 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.902 -1.749 . . . . 0.0 112.521 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -139.94 149.54 43.43 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.622 1.169 . . . . 0.0 109.191 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -113.86 111.48 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.87 28.87 16.69 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.005 1.383 . . . . 0.0 113.656 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.08 60.8 Favored Glycine 0 C--N 1.357 1.715 0 O-C-N 120.376 -1.452 . . . . 0.0 114.338 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -112.42 162.95 19.09 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 120.651 -1.5 . . . . 0.0 113.274 -163.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.86 108.2 2.04 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 122.776 2.318 . . . . 0.0 114.372 173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -84.31 157.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.517 162.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -106.75 144.66 33.09 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 119.96 -1.713 . . . . 0.0 110.462 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.24 -17.01 63.12 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.385 -2.072 . . . . 0.0 114.635 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -79.6 -11.0 59.89 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 119.908 -1.745 . . . . 0.0 113.641 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -68.88 159.7 32.07 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 122.706 1.241 . . . . 0.0 112.796 -175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.37 140.6 19.25 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 119.879 -1.763 . . . . 0.0 109.77 -171.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.34 -16.26 22.09 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 CA-C-N 122.051 1.768 . . . . 0.0 112.527 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.1 p -74.32 -17.68 60.81 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 120.307 1.412 . . . . 0.0 112.98 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 m -85.36 -13.43 49.51 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.691 -1.256 . . . . 0.0 111.442 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.08 -54.38 2.54 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.66 1.184 . . . . 0.0 112.648 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.268 16.7 mt-10 62.28 69.41 0.62 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.5 mmt -117.73 -122.9 0.29 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 121.061 -1.024 . . . . 0.0 111.314 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.44 -149.6 0.35 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.961 1.704 . . . . 0.0 111.196 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.32 172.71 12.77 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.907 -1.746 . . . . 0.0 110.367 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.49 34.85 11.2 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 121.061 -1.024 . . . . 0.0 112.933 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.57 153.89 32.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -163.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -106.11 101.27 10.77 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.24 1.416 . . . . 0.0 114.608 -159.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 tt -116.82 126.61 74.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.558 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.67 133.11 43.46 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.88 -1.763 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -121.19 127.37 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 123.284 1.516 . . . . 0.0 110.977 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.58 89.68 3.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.371 -1.456 . . . . 0.0 110.354 -171.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -94.46 142.51 27.35 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 162.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -101.32 -85.37 0.42 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.136 -0.977 . . . . 0.0 111.365 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -131.5 141.47 49.77 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.59 -1.319 . . . . 0.0 111.499 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -140.99 155.3 46.23 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.939 2.096 . . . . 0.0 105.353 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.61 72.72 0.55 Allowed Glycine 0 C--N 1.346 1.088 0 O-C-N 120.896 -1.127 . . . . 0.0 112.505 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.674 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.495 1.779 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 62.07 -81.93 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.922 1.289 . . . . 0.0 113.576 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.35 71.72 8.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.101 1.361 . . . . 0.0 110.367 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 45.72 -132.22 1.0 Allowed 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.037 2.535 . . . . 0.0 115.972 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -88.13 116.22 26.16 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.044 -1.66 . . . . 0.0 112.08 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -115.01 153.27 30.97 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 164.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.55 -126.09 2.14 Favored Glycine 0 CA--C 1.499 -0.932 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.37 -154.33 9.72 Favored Glycine 0 C--N 1.344 1.017 0 O-C-N 121.413 -1.051 . . . . 0.0 112.459 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.265 48.0 mt-10 63.69 90.87 0.08 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.246 1.819 . . . . 0.0 115.593 172.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -165.13 -144.68 0.08 Allowed 'General case' 0 C--N 1.342 0.256 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.47 116.03 9.42 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 119.147 -2.221 . . . . 0.0 112.477 173.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -164.14 172.65 13.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.509 -1.369 . . . . 0.0 107.335 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 pt -124.01 148.41 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.524 0.678 . . . . 0.0 110.305 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.82 150.91 22.32 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.941 -1.1 . . . . 0.0 110.018 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -128.86 142.45 50.96 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.223 -0.923 . . . . 0.0 108.658 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -107.92 138.74 43.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.756 1.222 . . . . 0.0 109.776 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.57 122.19 67.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.83 120.14 41.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 109.97 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.82 144.32 18.78 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 119.765 -1.834 . . . . 0.0 113.284 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -72.6 -28.17 62.62 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.175 -1.779 . . . . 0.0 110.588 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -26.96 62.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.112 2.565 . . . . 0.0 113.772 164.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.251 0.3 OUTLIER 93.5 24.75 0.01 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 129.285 3.034 . . . . 0.0 112.869 173.364 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 151.43 24.62 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.91 -1.119 . . . . 0.0 111.452 163.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 t -132.52 117.66 32.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 O-C-N 120.525 -1.36 . . . . 0.0 108.882 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -121.16 151.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 O-C-N 120.656 -1.277 . . . . 0.0 107.667 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.58 143.4 30.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.622 -1.924 . . . . 0.0 113.125 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -120.11 158.23 27.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.094 0.957 . . . . 0.0 112.46 -171.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -124.08 116.52 22.92 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 125.489 1.516 . . . . 0.0 108.704 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -142.93 145.33 23.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.756 -1.84 . . . . 0.0 112.432 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.09 154.01 28.36 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 119.081 -2.262 . . . . 0.0 112.27 174.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -62.64 -28.92 70.24 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -82.63 -7.23 59.66 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.626 -1.296 . . . . 0.0 114.465 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -98.34 119.54 61.48 Favored Pre-proline 0 C--N 1.346 0.423 0 O-C-N 120.205 -1.56 . . . . 0.0 109.736 -171.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.19 159.92 29.81 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 CA-C-N 123.116 2.148 . . . . 0.0 112.884 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.31 -32.6 62.91 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.433 1.093 . . . . 0.0 112.237 -171.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -47.53 -44.8 26.1 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.588 1.955 . . . . 0.0 114.817 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -38.8 86.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.181 -0.949 . . . . 0.0 112.589 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.95 -47.7 82.08 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.8 -1.187 . . . . 0.0 111.636 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.4 mmm -55.06 -57.73 10.55 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.344 1.057 . . . . 0.0 113.494 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.34 -35.85 81.77 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.661 -1.274 . . . . 0.0 113.714 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.61 87.41 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.425 -1.422 . . . . 0.0 113.593 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.77 -35.34 78.52 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.541 -1.349 . . . . 0.0 113.082 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.55 -53.58 56.5 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.72 -1.238 . . . . 0.0 113.489 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -67.16 -27.78 67.57 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -75.21 -45.29 41.37 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.121 -1.612 . . . . 0.0 113.702 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.75 -48.49 10.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.65 14.82 39.28 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 124.841 1.21 . . . . 0.0 113.937 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.08 -169.45 0.94 Allowed 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.451 1.501 . . . . 0.0 112.712 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -152.34 156.34 39.41 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 118.936 -2.353 . . . . 0.0 110.539 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -70.02 -34.41 73.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.779 -1.201 . . . . 0.0 112.683 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.07 -9.07 19.37 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.7 -5.96 10.85 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.077 -1.639 . . . . 0.0 111.96 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.27 103.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 125.141 1.376 . . . . 0.0 108.16 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 103.83 15.78 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 118.846 -2.409 . . . . 0.0 108.491 175.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.9 138.28 42.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.443 1.097 . . . . 0.0 111.432 -171.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 HH12 ' CD ' ' A' ' 80' ' ' GLU . 34.2 mtm105 -142.8 145.76 33.55 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.807 -1.183 . . . . 0.0 111.455 175.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -111.64 125.71 54.25 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 49.83 40.59 20.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 122.899 1.333 . . . . 0.0 114.322 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.42 64.37 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 119.417 -2.052 . . . . 0.0 116.068 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -124.57 162.67 41.26 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 120.73 -1.453 . . . . 0.0 111.836 -164.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.19 162.64 31.27 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.458 2.106 . . . . 0.0 111.595 171.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -148.05 154.53 10.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -103.75 151.04 23.5 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.773 -1.204 . . . . 0.0 111.362 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -19.3 11.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.592 1.957 . . . . 0.0 112.42 -170.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.08 -23.52 64.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.905 -1.747 . . . . 0.0 113.363 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -74.4 172.63 11.57 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 123.255 1.502 . . . . 0.0 112.68 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -89.52 144.9 32.72 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 126.153 1.781 . . . . 0.0 110.801 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.53 -6.76 19.84 Favored 'Trans proline' 0 C--N 1.336 -0.127 0 CA-C-N 122.892 2.068 . . . . 0.0 113.654 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -73.92 -25.91 60.24 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.008 -1.057 . . . . 0.0 112.648 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -68.11 -18.34 64.61 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.938 1.695 . . . . 0.0 114.449 -168.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.03 -19.5 23.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.494 1.518 . . . . 0.0 113.03 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 61.68 29.58 18.18 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.5 mmt -77.02 -72.03 0.37 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.234 -2.166 . . . . 0.0 113.466 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 146.09 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.879 3.271 . . . . 0.0 107.185 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -122.92 167.72 13.22 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.647 -1.283 . . . . 0.0 108.243 160.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.52 65.52 1.56 Allowed Glycine 0 C--N 1.347 1.146 0 O-C-N 120.877 -1.14 . . . . 0.0 113.248 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -71.05 154.8 41.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 163.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -140.11 64.92 1.43 Allowed 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.268 1.427 . . . . 0.0 107.518 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -80.45 127.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 O-C-N 120.949 -1.095 . . . . 0.0 111.511 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' CD ' HH12 ' A' ' 56' ' ' ARG . 15.6 pt-20 -94.53 132.3 39.35 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.103 -1.623 . . . . 0.0 111.598 -174.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.4 t -116.56 124.33 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 125.1 1.36 . . . . 0.0 110.877 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 104.03 14.52 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.419 -1.425 . . . . 0.0 108.252 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.82 144.69 31.88 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.589 -1.32 . . . . 0.0 111.598 171.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.23 142.8 48.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.641 -1.287 . . . . 0.0 111.369 -174.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER 65.71 -141.85 0.19 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.842 1.657 . . . . 0.0 114.281 -176.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.1 t -99.67 151.06 21.64 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.944 -1.722 . . . . 0.0 109.153 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.85 -144.64 8.51 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 169.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.82 0 C-N-CA 124.96 1.267 . . . . 0.0 110.98 177.107 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -86.62 -92.41 0.1 Allowed 'General case' 0 C--N 1.35 0.587 0 O-C-N 119.919 -1.738 . . . . 0.0 110.547 -167.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.3 -50.17 8.65 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 123.377 1.56 . . . . 0.0 107.009 168.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -80.48 170.73 15.96 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 130.528 3.531 . . . . 0.0 116.662 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt 48.06 91.16 0.02 OUTLIER 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.575 2.75 . . . . 0.0 116.94 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -175.5 173.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.49 109.73 1.08 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.561 1.073 . . . . 0.0 115.014 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.92 -177.75 16.65 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 163.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.447 1.5 pm0 43.62 155.58 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 -175.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m -92.05 -82.0 0.32 Allowed 'General case' 0 N--CA 1.472 0.633 0 O-C-N 118.563 -2.585 . . . . 0.0 117.225 -152.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.24 127.0 32.17 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 -153.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -126.19 155.4 41.84 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.525 -1.359 . . . . 0.0 112.571 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 pt -113.81 -153.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 111.266 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.16 83.12 1.56 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.737 -1.852 . . . . 0.0 110.883 -165.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.29 126.14 30.46 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.92 -1.112 . . . . 0.0 111.164 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -111.02 103.95 12.46 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.46 102.56 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.73 94.39 9.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.911 -1.118 . . . . 0.0 109.746 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.18 118.17 6.2 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 120.961 -1.087 . . . . 0.0 112.03 173.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -11.32 60.71 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.834 -1.392 . . . . 0.0 112.898 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -77.63 0.73 22.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.927 1.691 . . . . 0.0 112.496 167.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 99.51 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.228 3.411 . . . . 0.0 111.278 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.32 81.26 8.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.441 -1.412 . . . . 0.0 113.4 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -80.7 118.34 28.26 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 O-C-N 120.264 -1.523 . . . . 0.0 109.708 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.84 162.18 40.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 O-C-N 120.654 -1.279 . . . . 0.0 108.79 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -154.65 152.77 30.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 119.614 -1.929 . . . . 0.0 111.527 -173.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -165.09 166.8 18.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.784 0.802 . . . . 0.0 109.982 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -106.65 122.25 45.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.136 -1.602 . . . . 0.0 111.719 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 tt -98.55 150.33 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.008 -1.683 . . . . 0.0 109.026 172.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -77.11 136.13 38.61 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.706 -1.246 . . . . 0.0 109.274 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -68.54 -18.67 64.41 Favored 'General case' 0 C--N 1.347 0.5 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 -166.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -12.31 59.56 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 121.026 -1.047 . . . . 0.0 112.649 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.4 m -91.04 123.12 65.5 Favored Pre-proline 0 C--N 1.346 0.436 0 O-C-N 120.631 -1.293 . . . . 0.0 110.747 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.37 158.6 48.08 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 122.79 2.032 . . . . 0.0 112.486 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.11 -36.89 72.31 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 123.557 0.743 . . . . 0.0 112.911 -170.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -47.68 -44.91 27.82 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.5 -44.15 95.15 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.877 -1.139 . . . . 0.0 112.901 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.07 -45.99 89.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.734 -1.228 . . . . 0.0 112.215 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.9 -48.45 81.38 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.903 -1.123 . . . . 0.0 113.381 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -66.15 -42.2 89.35 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.54 -1.35 . . . . 0.0 112.747 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.89 78.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.784 -1.197 . . . . 0.0 113.819 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.3 -45.03 77.72 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.646 -1.284 . . . . 0.0 113.327 170.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.5 m -53.49 -46.57 70.06 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.581 -1.324 . . . . 0.0 113.147 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.93 -54.76 18.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.652 1.581 . . . . 0.0 113.84 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -76.98 -28.79 55.24 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.077 -1.64 . . . . 0.0 113.959 -172.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.15 -36.57 30.05 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.958 -1.714 . . . . 0.0 111.651 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.8 73.77 1.28 Allowed Glycine 0 C--N 1.348 1.22 0 C-N-CA 124.567 1.08 . . . . 0.0 112.13 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.08 -172.0 4.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.848 1.259 . . . . 0.0 109.155 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -128.01 157.75 39.78 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.884 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.5 ttm -79.66 -0.38 33.71 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.492 -2.005 . . . . 0.0 113.866 -171.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -71.53 -42.99 67.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 119.694 -1.879 . . . . 0.0 113.132 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.53 -22.03 7.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 O-C-N 120.794 -1.191 . . . . 0.0 112.632 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.18 103.01 14.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 124.596 1.158 . . . . 0.0 109.072 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -108.82 132.94 53.52 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.472 -1.392 . . . . 0.0 110.279 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -118.31 149.96 40.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.863 -1.148 . . . . 0.0 113.038 -170.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -142.15 161.03 39.05 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.582 1.153 . . . . 0.0 108.579 168.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -123.65 125.81 45.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t70 50.34 41.88 25.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 114.295 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.68 -20.9 44.24 Favored Glycine 0 C--N 1.353 1.496 0 O-C-N 120.292 -1.505 . . . . 0.0 116.343 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -120.14 150.17 50.74 Favored Pre-proline 0 C--N 1.351 0.674 0 CA-C-N 119.566 1.683 . . . . 0.0 113.888 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.33 110.33 2.64 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.93 2.42 . . . . 0.0 112.729 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 tt -85.7 155.03 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 122.278 1.037 . . . . 0.0 113.012 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -74.68 141.38 44.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.66 -1.275 . . . . 0.0 110.562 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -19.32 19.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.516 -1.365 . . . . 0.0 113.279 -172.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -74.48 -27.52 60.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.478 -1.389 . . . . 0.0 114.485 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.16 174.22 11.77 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 119.902 -1.749 . . . . 0.0 115.23 -171.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.58 47.54 Favored Pre-proline 0 C--N 1.346 0.418 0 C-N-CA 126.219 1.808 . . . . 0.0 112.07 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -5.19 16.54 Favored 'Trans proline' 0 N--CA 1.471 0.17 0 C-N-CA 122.961 2.441 . . . . 0.0 113.47 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 p -73.08 -30.94 64.05 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.194 0.998 . . . . 0.0 111.361 163.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -66.26 -35.71 81.11 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.111 -1.618 . . . . 0.0 112.517 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.57 6.61 48.37 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.249 -0.907 . . . . 0.0 111.72 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.251 36.3 mt-10 41.8 59.77 2.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 127.387 2.275 . . . . 0.0 115.851 -176.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.08 169.39 10.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 -168.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.81 -117.66 0.02 OUTLIER 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.053 2.141 . . . . 0.0 111.712 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.38 152.44 27.56 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 125.496 1.518 . . . . 0.0 106.904 166.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.43 56.53 0.26 Allowed Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -97.59 93.16 6.27 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.083 0.944 . . . . 0.0 110.105 -151.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 48.9 p -83.4 99.25 9.94 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -170.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.8 tt -104.47 129.72 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 124.419 1.088 . . . . 0.0 108.77 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.98 140.94 29.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.679 -1.888 . . . . 0.0 109.077 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.85 114.72 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 122.925 1.345 . . . . 0.0 109.181 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -85.84 112.8 21.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 124.557 1.143 . . . . 0.0 108.441 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.19 142.16 47.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.282 1.433 . . . . 0.0 108.986 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -148.45 168.44 22.67 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 67.55 23.48 8.9 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 0.0 113.213 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 p -73.54 153.55 40.23 Favored 'General case' 0 C--N 1.343 0.312 0 O-C-N 120.188 -1.57 . . . . 0.0 112.835 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.47 -149.65 22.86 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 120.803 -1.186 . . . . 0.0 113.078 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.697 0 C-N-CA 125.368 1.461 . . . . 0.0 110.45 179.012 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 122.656 1.217 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.471 ' CD2' ' HZ3' ' A' ' 28' ' ' LYS . 22.9 p80 -140.22 161.33 37.92 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.412 1.101 . . . . 0.0 112.065 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.72 151.92 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 125.271 1.428 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.95 143.06 32.29 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.64 134.05 55.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 108.533 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -108.34 120.79 43.4 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.65 116.51 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 O-C-N 120.916 -1.115 . . . . 0.0 109.058 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.93 118.59 36.92 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.252 1.025 . . . . 0.0 111.525 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.11 144.25 29.53 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.576 -1.952 . . . . 0.0 111.974 171.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.74 -38.41 60.85 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 126.964 2.105 . . . . 0.0 113.822 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -67.38 -92.39 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 127.7 2.4 . . . . 0.0 113.735 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.9 -6.47 0.12 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.437 1.895 . . . . 0.0 111.621 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.61 124.75 29.24 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.447 -2.033 . . . . 0.0 113.574 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -126.46 133.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 O-C-N 120.381 -1.449 . . . . 0.0 108.528 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.48 167.36 26.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 109.678 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -141.46 136.45 31.29 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.043 -1.661 . . . . 0.0 112.542 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -120.64 171.95 8.21 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.226 1.41 . . . . 0.0 111.397 -172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HZ3' ' CD2' ' A' ' 12' ' ' HIS . 18.9 ttpp -136.52 133.1 36.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.002 1.321 . . . . 0.0 108.924 -174.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tt -151.24 156.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.817 -1.177 . . . . 0.0 110.423 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -71.79 147.1 47.58 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 119.734 -1.854 . . . . 0.0 111.626 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.56 -21.63 64.53 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.868 -1.77 . . . . 0.0 114.694 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -75.96 -42.04 49.66 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.075 1.35 . . . . 0.0 113.52 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -76.28 144.49 74.84 Favored Pre-proline 0 C--N 1.342 0.253 0 O-C-N 120.454 -1.404 . . . . 0.0 114.083 -165.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.9 161.54 43.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.461 2.107 . . . . 0.0 111.245 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.05 -19.96 53.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -164.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -56.62 -41.94 77.95 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -77.08 -6.05 51.28 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 121.094 -1.004 . . . . 0.0 113.583 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -90.2 -51.85 5.24 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.101 -0.999 . . . . 0.0 109.255 163.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 88.7 mtp -54.97 -63.75 1.05 Allowed 'General case' 0 C--N 1.354 0.776 0 C-N-CA 125.578 1.551 . . . . 0.0 114.655 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.6 -30.37 70.64 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.456 -1.402 . . . . 0.0 111.655 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.1 83.17 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.045 -1.034 . . . . 0.0 113.733 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -67.57 -36.56 81.18 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.512 0.725 . . . . 0.0 112.78 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -58.03 -43.62 86.88 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.281 -1.512 . . . . 0.0 114.207 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.98 -49.53 61.13 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.261 1.024 . . . . 0.0 113.462 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.89 -1.756 . . . . 0.0 113.772 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.1 -48.65 15.55 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.097 -1.627 . . . . 0.0 112.421 165.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.0 0.87 Allowed Glycine 0 C--N 1.348 1.243 0 C-N-CA 125.647 1.594 . . . . 0.0 112.686 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.17 168.63 19.3 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 m -100.48 134.28 43.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.699 -1.251 . . . . 0.0 112.924 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -18.18 54.15 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -66.17 -18.18 65.18 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.977 -1.702 . . . . 0.0 115.302 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.06 -20.47 6.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.567 0 O-C-N 120.515 -1.365 . . . . 0.0 112.301 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.6 t -93.15 86.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.398 -1.439 . . . . 0.0 109.684 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -92.1 104.66 17.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.552 -1.343 . . . . 0.0 112.643 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -97.2 145.9 25.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.95 -1.094 . . . . 0.0 113.041 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -142.3 142.11 32.49 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.096 -1.002 . . . . 0.0 110.907 171.531 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.89 132.09 56.75 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.527 1.931 . . . . 0.0 106.495 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t0 57.3 27.65 14.04 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.41 1.576 . . . . 0.0 112.835 -177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.1 16.98 67.39 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 119.938 -1.726 . . . . 0.0 115.624 -170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -129.8 161.15 61.21 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 109.935 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.85 160.35 37.43 Favored 'Trans proline' 0 C--N 1.331 -0.368 0 CA-C-N 122.483 1.923 . . . . 0.0 112.432 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.2 tt -140.6 164.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -128.77 178.6 6.23 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.054 -1.654 . . . . 0.0 110.071 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.63 -20.02 47.78 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.425 -1.422 . . . . 0.0 114.62 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -78.23 -34.0 49.48 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.739 0.816 . . . . 0.0 112.533 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.63 101.92 1.75 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.756 1.623 . . . . 0.0 112.046 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -76.96 149.03 79.68 Favored Pre-proline 0 C--N 1.345 0.394 0 O-C-N 119.329 -2.107 . . . . 0.0 110.579 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -73.13 -11.2 25.07 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 CA-C-N 122.694 1.998 . . . . 0.0 111.666 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -80.37 -7.64 59.18 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -85.84 -27.57 25.01 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.354 -1.466 . . . . 0.0 110.539 164.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -84.91 -48.18 9.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.1 -1.0 . . . . 0.0 112.54 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.277 81.7 mt-10 53.59 69.14 0.74 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -99.13 8.23 45.09 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.173 -0.954 . . . . 0.0 110.163 163.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.278 26.1 tp10 63.55 -99.9 0.08 Allowed 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.175 1.79 . . . . 0.0 110.585 -162.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -135.37 175.31 9.7 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.974 1.261 . . . . 0.0 113.494 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.41 73.3 1.22 Allowed Glycine 0 C--N 1.351 1.416 0 C-N-CA 123.874 0.75 . . . . 0.0 112.185 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -78.62 151.13 32.49 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.754 -0.851 . . . . 0.0 109.5 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -134.44 32.95 3.32 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.613 1.965 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -52.68 131.83 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.039 2.136 . . . . 0.0 115.139 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -94.39 155.67 16.86 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 119.888 -1.757 . . . . 0.0 111.778 -177.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -121.1 109.81 26.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-O 122.291 1.043 . . . . 0.0 109.636 167.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.85 80.42 7.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.279 -1.513 . . . . 0.0 109.643 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -57.97 162.09 3.56 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.151 1.78 . . . . 0.0 114.827 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 . . . . . 0 C--N 1.35 0.616 0 O-C-N 119.891 -1.756 . . . . 0.0 113.368 173.098 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -102.55 158.91 15.89 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.797 1.239 . . . . 0.0 112.32 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -136.66 175.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 124.054 0.942 . . . . 0.0 111.447 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -128.78 117.17 20.64 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.516 1.526 . . . . 0.0 110.151 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.59 142.72 27.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.628 0.728 . . . . 0.0 110.502 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -101.24 107.39 18.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.248 1.419 . . . . 0.0 109.821 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -97.7 99.56 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.765 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.45 101.78 13.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.572 1.149 . . . . 0.0 111.854 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.88 136.33 14.75 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 119.545 -1.972 . . . . 0.0 114.085 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.15 -32.16 73.44 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.48 -1.6 . . . . 0.0 112.51 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.91 49.62 1.09 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.003 1.721 . . . . 0.0 111.694 173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m120 66.84 -50.97 0.46 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.147 2.579 . . . . 0.0 117.68 175.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.95 118.42 12.77 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -95.62 128.85 46.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.875 -1.141 . . . . 0.0 110.367 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 t -120.83 158.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 125.024 1.33 . . . . 0.0 108.847 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.57 140.7 52.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.335 -2.103 . . . . 0.0 111.324 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -122.17 147.31 46.33 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.078 -1.014 . . . . 0.0 110.418 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -113.27 139.09 49.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.45 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' H ' ' A' ' 30' ' ' LYS . 5.8 tt -145.06 -179.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' H ' HG12 ' A' ' 29' ' ' ILE . 32.4 mtpt -98.17 159.74 14.74 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.803 -1.81 . . . . 0.0 110.629 170.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -74.05 -44.07 55.56 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -80.69 -2.91 48.7 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 120.569 -1.332 . . . . 0.0 114.111 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -88.13 131.23 43.38 Favored Pre-proline 0 C--N 1.352 0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.779 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.04 157.58 50.73 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.202 1.935 . . . . 0.0 111.814 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.95 -27.05 43.55 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -163.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -51.25 -38.18 51.24 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.725 1.61 . . . . 0.0 115.004 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -45.81 89.87 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.463 1.505 . . . . 0.0 113.182 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.86 -49.13 49.39 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.267 1.427 . . . . 0.0 111.483 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 87.2 mtp -51.9 -52.98 46.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.743 1.617 . . . . 0.0 112.886 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -65.34 -49.66 68.58 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.262 -0.899 . . . . 0.0 111.645 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.3 -41.94 66.14 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.48 -44.46 74.73 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.771 -1.205 . . . . 0.0 112.275 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.78 -43.81 98.12 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.767 -1.208 . . . . 0.0 113.208 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -53.19 57.82 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.419 2.287 . . . . 0.0 113.408 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -76.13 -19.75 58.23 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.002 -1.061 . . . . 0.0 113.085 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.22 -41.77 27.52 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.216 -1.552 . . . . 0.0 112.354 164.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 33.82 11.34 Favored Glycine 0 C--N 1.345 1.075 0 C-N-CA 126.011 1.767 . . . . 0.0 111.404 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.0 152.07 23.82 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 123.001 1.382 . . . . 0.0 113.051 -173.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -78.62 128.96 34.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 120.926 -1.109 . . . . 0.0 111.79 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.83 -33.54 71.9 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.829 -1.169 . . . . 0.0 112.577 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -44.36 -40.03 5.05 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.207 2.203 . . . . 0.0 116.859 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.65 5.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 O-C-N 120.68 -1.263 . . . . 0.0 112.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.9 88.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.09 0.956 . . . . 0.0 110.011 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -92.36 157.78 16.43 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.311 -2.118 . . . . 0.0 110.861 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -147.98 154.51 40.4 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.636 -1.29 . . . . 0.0 111.993 -172.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 154.13 49.12 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 168.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -117.53 123.99 47.62 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.64 25.52 6.47 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.08 -20.9 47.0 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 119.53 -1.982 . . . . 0.0 115.357 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -119.0 160.53 40.5 Favored Pre-proline 0 C--N 1.347 0.463 0 CA-C-N 119.628 1.714 . . . . 0.0 112.044 -172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.65 163.69 36.72 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-N 122.948 2.088 . . . . 0.0 112.104 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -143.86 155.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.39 160.43 14.29 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.469 -1.394 . . . . 0.0 109.374 171.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.53 -14.59 61.24 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 119.555 -1.966 . . . . 0.0 112.752 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -84.11 -8.16 59.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.531 1.932 . . . . 0.0 112.178 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -78.83 105.6 10.26 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.265 -1.522 . . . . 0.0 110.018 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.5 p -100.35 151.45 37.55 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 120.511 -1.368 . . . . 0.0 112.906 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 -7.37 18.17 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.216 1.944 . . . . 0.0 112.409 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -82.54 -41.08 20.1 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 110.89 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m -76.4 -28.56 56.75 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.66 -1.275 . . . . 0.0 112.739 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.29 -38.85 75.09 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.303 -1.498 . . . . 0.0 113.006 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.346 16.1 mt-10 67.61 19.06 9.9 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 61.5 tpp -63.93 138.48 58.49 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.734 1.213 . . . . 0.0 108.809 159.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.29 -69.97 0.47 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.149 -1.594 . . . . 0.0 111.836 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.87 165.73 35.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.75 32.41 1.58 Allowed Glycine 0 C--N 1.345 1.055 0 C-N-CA 124.197 0.904 . . . . 0.0 111.017 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.19 115.54 16.01 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.119 2.168 . . . . 0.0 112.612 -166.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 p -91.56 103.21 15.83 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.592 1.557 . . . . 0.0 114.842 -166.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 tt -118.4 126.41 75.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 O-C-N 120.441 -1.412 . . . . 0.0 111.116 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -90.39 146.84 23.85 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.741 -1.849 . . . . 0.0 111.075 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.1 t -117.94 114.65 45.97 Favored 'Isoleucine or valine' 0 C--N 1.345 0.372 0 CA-C-O 123.008 1.385 . . . . 0.0 110.592 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 100.09 11.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.425 1.49 . . . . 0.0 108.989 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.23 127.91 34.24 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.485 -1.384 . . . . 0.0 112.153 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.448 -0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 112.154 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -91.06 133.64 35.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.173 1.389 . . . . 0.0 110.342 169.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.4 137.51 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -87.74 136.37 32.98 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.415 1.086 . . . . 0.0 111.952 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 153.24 50.69 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.814 0.845 . . . . 0.0 109.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -125.76 138.93 53.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.065 -1.022 . . . . 0.0 111.758 174.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.01 112.2 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 124.184 0.993 . . . . 0.0 108.718 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.5 88.91 6.08 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.2 1.0 . . . . 0.0 110.018 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.67 120.44 5.28 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 121.121 -0.987 . . . . 0.0 111.893 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -8.1 44.88 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.18 17.66 0.34 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.018 1.727 . . . . 0.0 111.857 167.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 76.87 -20.43 0.37 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.909 2.484 . . . . 0.0 114.13 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.56 67.4 0.76 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.664 1.586 . . . . 0.0 114.772 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.81 134.55 27.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 125.589 1.556 . . . . 0.0 110.37 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.08 151.38 19.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 123.914 0.886 . . . . 0.0 111.184 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.87 141.02 52.4 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.376 -1.453 . . . . 0.0 110.784 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -154.74 178.56 10.0 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.066 -1.021 . . . . 0.0 110.342 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -140.72 152.3 45.18 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.121 -1.612 . . . . 0.0 114.629 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.15 159.62 42.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 C-N-CA 125.543 1.537 . . . . 0.0 108.338 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -75.42 144.36 42.23 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.948 -2.345 . . . . 0.0 111.334 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -80.48 1.87 27.59 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.933 -1.73 . . . . 0.0 115.419 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -87.39 -31.63 19.99 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.084 -1.635 . . . . 0.0 112.542 170.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 p -82.34 149.8 62.49 Favored Pre-proline 0 C--N 1.345 0.396 0 O-C-N 120.691 -1.255 . . . . 0.0 113.279 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -74.58 169.16 23.16 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.482 2.121 . . . . 0.0 112.176 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.81 -32.87 65.83 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.535 -0.728 . . . . 0.0 112.962 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -47.71 -41.18 22.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.739 -1.225 . . . . 0.0 112.938 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.9 -49.85 41.31 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.482 -2.011 . . . . 0.0 110.557 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.5 mmm -50.48 -57.92 6.94 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -80.39 -5.7 56.87 Favored 'General case' 0 C--N 1.345 0.373 0 O-C-N 120.256 -1.527 . . . . 0.0 113.291 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.07 16.66 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 119.945 -1.722 . . . . 0.0 110.346 164.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -55.59 32.01 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.742 1.217 . . . . 0.0 112.535 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.5 m -58.51 -54.8 42.91 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -70.33 -28.74 65.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.446 -1.409 . . . . 0.0 113.633 -174.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.67 -47.12 73.48 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.212 -1.555 . . . . 0.0 112.808 169.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -50.86 64.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.971 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.97 -28.44 4.61 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 121.416 -0.803 . . . . 0.0 111.682 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.26 169.63 17.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.935 1.294 . . . . 0.0 113.12 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 p -153.8 -171.84 4.02 Favored 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 119.626 -1.921 . . . . 0.0 110.347 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -72.92 -10.16 59.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 112.292 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.45 -25.89 65.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.167 -1.583 . . . . 0.0 112.662 168.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.87 -30.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 123.979 0.912 . . . . 0.0 113.304 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.93 135.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.316 -1.49 . . . . 0.0 109.793 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 90.51 3.35 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.704 -1.872 . . . . 0.0 110.59 -169.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -82.87 133.06 35.14 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.103 -0.998 . . . . 0.0 112.413 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 149.47 43.83 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.093 -1.629 . . . . 0.0 107.92 162.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -119.0 108.46 14.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.8 t0 52.84 48.13 23.14 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 123.148 1.451 . . . . 0.0 112.442 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.0 -31.74 3.35 Favored Glycine 0 C--N 1.354 1.55 0 O-C-N 120.317 -1.489 . . . . 0.0 115.592 -171.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -96.33 156.77 36.51 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 120.494 -1.592 . . . . 0.0 114.437 -163.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 110.42 3.02 Favored 'Trans proline' 0 C--N 1.331 -0.379 0 C-N-CA 122.812 2.341 . . . . 0.0 113.026 170.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.62 137.9 20.25 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 O-C-N 120.762 -1.211 . . . . 0.0 111.972 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -87.65 118.87 27.44 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.026 -1.671 . . . . 0.0 111.86 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.71 -15.99 59.92 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -69.38 -23.03 63.68 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.252 -1.53 . . . . 0.0 113.614 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -74.73 167.47 21.74 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 122.593 1.187 . . . . 0.0 113.717 -171.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -118.23 148.12 43.06 Favored Pre-proline 0 C--N 1.343 0.295 0 O-C-N 120.909 -1.119 . . . . 0.0 110.894 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.27 -5.17 16.55 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 CA-C-N 121.299 1.5 . . . . 0.0 112.715 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -81.36 -21.17 39.3 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 120.322 1.419 . . . . 0.0 111.622 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 m -83.08 -41.99 17.95 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.531 1.158 . . . . 0.0 109.559 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.2 mt -73.94 -53.67 9.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.303 1.441 . . . . 0.0 112.913 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.341 51.2 mt-10 77.29 68.37 0.05 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.998 2.119 . . . . 0.0 114.747 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -112.49 176.7 4.91 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.031 1.332 . . . . 0.0 109.594 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -99.86 -110.95 0.19 Allowed 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.939 1.296 . . . . 0.0 112.864 -169.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -144.07 159.55 42.43 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 120.306 -1.496 . . . . 0.0 107.6 165.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.29 38.06 8.62 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -89.06 160.64 16.97 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.867 0.841 . . . . 0.0 110.511 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 p -135.98 131.91 35.66 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 120.544 -1.347 . . . . 0.0 112.615 -160.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.0 tt -130.07 135.25 61.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 120.32 -1.488 . . . . 0.0 108.992 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -101.53 133.11 46.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.355 -1.466 . . . . 0.0 109.896 -174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.56 124.81 67.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.49 -1.382 . . . . 0.0 112.479 -170.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -104.63 163.31 12.57 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.79 1.236 . . . . 0.0 110.234 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.36 174.81 5.72 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.697 -1.252 . . . . 0.0 114.258 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.351 0.664 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 161.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.232 0.539 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 149.17 40.83 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.581 -1.324 . . . . 0.0 113.154 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.79 154.2 39.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.742 1.217 . . . . 0.0 110.004 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -92.95 155.62 17.44 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.782 -1.198 . . . . 0.0 114.082 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -132.08 143.34 49.95 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 163.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -116.78 122.6 44.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 t -109.87 121.82 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 124.618 1.167 . . . . 0.0 110.083 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.0 111.55 19.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.083 -1.01 . . . . 0.0 113.155 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.09 166.07 51.33 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 120.161 -1.587 . . . . 0.0 113.98 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -6.2 47.38 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 120.872 -1.369 . . . . 0.0 114.192 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -85.4 -63.75 1.27 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.905 1.282 . . . . 0.0 111.034 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' H ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -172.15 -5.92 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.468 2.307 . . . . 0.0 110.741 167.305 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 22' ' ' ASN . . . -78.13 117.24 19.23 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 119.765 -1.835 . . . . 0.0 115.361 -167.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.11 121.43 63.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.74 -1.225 . . . . 0.0 109.388 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.17 144.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 125.778 1.631 . . . . 0.0 108.37 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -135.97 141.36 44.42 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 119.598 -1.939 . . . . 0.0 108.992 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -155.6 170.79 21.19 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.236 -0.915 . . . . 0.0 110.817 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -124.22 145.77 49.14 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 121.833 0.825 . . . . 0.0 112.049 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.73 153.63 31.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 125.437 1.495 . . . . 0.0 108.668 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -74.06 142.63 45.66 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.147 -1.596 . . . . 0.0 109.847 166.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.32 -18.74 61.75 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.766 -1.834 . . . . 0.0 114.681 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -84.33 -11.14 56.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 120.516 -1.365 . . . . 0.0 114.321 -169.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -111.11 154.79 43.37 Favored Pre-proline 0 C--N 1.347 0.485 0 O-C-N 120.476 -1.39 . . . . 0.0 110.994 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.44 165.35 23.18 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 CA-C-N 121.563 1.594 . . . . 0.0 112.682 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -33.07 72.25 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -39.56 20.33 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.774 1.63 . . . . 0.0 114.284 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -50.74 72.6 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.334 1.054 . . . . 0.0 112.48 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.37 -46.89 63.18 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.507 -1.371 . . . . 0.0 112.033 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.6 mmt -54.68 -50.78 67.43 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.13 82.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.675 -1.266 . . . . 0.0 112.199 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.95 96.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.614 -1.304 . . . . 0.0 113.05 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -43.12 88.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.8 -1.187 . . . . 0.0 112.365 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -55.31 -58.54 7.31 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.131 0.972 . . . . 0.0 113.131 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -73.68 -17.07 61.18 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -76.89 -47.72 20.37 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.079 -1.638 . . . . 0.0 111.194 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.98 70.91 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.812 -1.18 . . . . 0.0 113.303 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 16.68 12.71 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 125.895 1.712 . . . . 0.0 112.386 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.08 -179.9 4.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 120.562 -1.552 . . . . 0.0 111.638 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.54 -179.29 7.45 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 119.506 -1.996 . . . . 0.0 108.992 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 ttm -77.11 -5.85 50.57 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.662 -1.273 . . . . 0.0 113.002 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -62.62 -31.19 71.98 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.558 -1.964 . . . . 0.0 113.991 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.43 -57.16 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.107 0.563 . . . . 0.0 110.756 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.48 113.48 24.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.404 -1.435 . . . . 0.0 112.076 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.62 128.83 56.17 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.763 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 146.88 27.8 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.225 1.01 . . . . 0.0 112.365 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -134.24 139.99 46.15 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 110.673 163.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -104.75 114.67 29.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.471 1.908 . . . . 0.0 107.532 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.75 -23.64 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.57 -29.73 0.25 Allowed Glycine 0 C--N 1.343 0.971 0 C-N-CA 126.639 2.066 . . . . 0.0 111.45 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -106.2 164.17 15.5 Favored Pre-proline 0 C--N 1.347 0.461 0 O-C-N 121.069 -1.254 . . . . 0.0 112.279 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.72 154.04 48.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.755 1.636 . . . . 0.0 111.752 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -125.69 166.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 125.284 1.434 . . . . 0.0 107.436 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -113.53 169.22 9.13 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.387 -1.446 . . . . 0.0 111.902 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.52 -24.07 16.25 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.553 1.941 . . . . 0.0 112.558 -170.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -70.74 -20.25 62.66 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.807 -1.183 . . . . 0.0 113.248 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -68.16 135.72 52.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.973 1.368 . . . . 0.0 113.41 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -94.87 133.96 25.67 Favored Pre-proline 0 C--N 1.343 0.314 0 C-N-CA 125.617 1.567 . . . . 0.0 109.927 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.72 -13.26 24.53 Favored 'Trans proline' 0 CA--C 1.52 -0.213 0 CA-C-N 122.943 2.087 . . . . 0.0 112.212 -171.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -65.59 -25.48 67.43 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 126.609 1.964 . . . . 0.0 112.95 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -79.38 -28.22 41.91 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.806 1.642 . . . . 0.0 112.667 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -89.03 -31.25 18.16 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -169.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.84 60.03 0.55 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.877 1.671 . . . . 0.0 112.325 -171.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.9 ptm -104.93 147.86 27.31 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.018 -1.051 . . . . 0.0 111.707 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.9 171.85 13.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 123.661 1.696 . . . . 0.0 111.486 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.97 134.1 46.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 123.315 1.531 . . . . 0.0 112.825 170.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.95 48.5 3.12 Favored Glycine 0 CA--C 1.498 -0.997 0 O-C-N 119.972 -1.705 . . . . 0.0 113.755 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -68.53 159.99 30.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.945 0.872 . . . . 0.0 112.233 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -114.88 82.7 1.78 Allowed 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.53 1.532 . . . . 0.0 110.491 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.06 132.19 42.14 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 122.552 1.168 . . . . 0.0 110.503 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.61 145.43 25.75 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 119.11 -2.244 . . . . 0.0 112.583 -173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.59 131.16 71.14 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 124.821 1.248 . . . . 0.0 111.659 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.86 145.18 37.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.587 167.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.23 -141.71 0.36 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.039 0.935 . . . . 0.0 111.87 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.355 0.805 0 O-C-N 120.004 -1.685 . . . . 0.0 110.471 173.46 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 . . . . . 0 N--CA 1.45 -0.464 0 CA-C-O 122.078 0.942 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -137.43 160.66 38.47 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.997 -1.69 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 pt -110.04 149.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.949 -1.094 . . . . 0.0 109.518 173.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -119.88 134.16 55.33 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.79 159.28 29.86 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.666 1.186 . . . . 0.0 111.529 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -128.91 97.32 4.61 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 124.366 1.066 . . . . 0.0 111.611 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.72 100.05 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.671 -1.268 . . . . 0.0 109.528 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.3 95.8 8.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.083 0.953 . . . . 0.0 110.925 -173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.5 134.01 13.55 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 120.579 -1.326 . . . . 0.0 114.526 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -60.79 -26.24 67.13 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.713 -1.463 . . . . 0.0 113.37 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.1 -9.74 42.77 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.224 -1.547 . . . . 0.0 113.058 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 95.45 2.05 0.04 OUTLIER 'General case' 0 C--N 1.355 0.839 0 C-N-CA 130.226 3.411 . . . . 0.0 112.58 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.75 107.84 18.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.358 -1.464 . . . . 0.0 110.839 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.71 130.52 54.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 124.857 1.263 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.64 144.86 36.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.773 -1.205 . . . . 0.0 112.817 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -93.87 121.55 35.45 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.503 -1.373 . . . . 0.0 112.562 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -106.27 168.65 9.0 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 110.255 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -150.33 141.17 22.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.547 -1.346 . . . . 0.0 109.517 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 tt -140.93 159.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -75.22 145.63 41.84 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.586 -1.946 . . . . 0.0 110.083 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -68.56 -27.06 65.74 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.427 -2.046 . . . . 0.0 113.219 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.39 -21.76 61.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 119.777 -1.827 . . . . 0.0 114.639 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -104.27 141.17 21.97 Favored Pre-proline 0 C--N 1.349 0.558 0 C-N-CA 124.316 1.046 . . . . 0.0 113.192 -166.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.32 161.18 38.2 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 123.081 2.521 . . . . 0.0 113.834 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.86 -45.08 37.54 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.172 1.389 . . . . 0.0 114.133 -167.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.7 -53.05 0.43 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 128.914 2.886 . . . . 0.0 117.861 -174.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -39.5 92.58 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.261 -1.524 . . . . 0.0 113.743 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.2 -43.52 81.9 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.976 -1.077 . . . . 0.0 111.392 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.97 -52.98 62.25 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 112.831 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.55 93.29 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.965 -1.085 . . . . 0.0 112.561 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.03 95.44 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.542 -1.349 . . . . 0.0 113.956 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.2 -41.76 99.2 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.126 -1.609 . . . . 0.0 113.203 171.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.5 -49.79 73.68 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.557 1.071 . . . . 0.0 113.71 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.99 -53.72 52.07 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.129 1.372 . . . . 0.0 113.557 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -69.06 -45.29 70.75 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.84 -1.163 . . . . 0.0 113.654 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -24.4 62.01 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.355 -0.84 . . . . 0.0 113.136 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.02 37.1 11.78 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 121.194 -0.941 . . . . 0.0 112.4 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -120.82 163.31 18.35 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.836 0.854 . . . . 0.0 110.145 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -120.26 148.49 43.63 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.451 -1.405 . . . . 0.0 112.043 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -14.07 62.39 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -174.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -49.38 -58.88 4.32 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.03 -1.669 . . . . 0.0 113.534 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.6 -11.73 10.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.832 1.253 . . . . 0.0 113.401 -170.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -105.49 103.61 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.038 -1.039 . . . . 0.0 110.406 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -87.25 114.54 23.94 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.331 -1.481 . . . . 0.0 110.691 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -97.66 137.5 36.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.007 0.923 . . . . 0.0 109.302 169.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -141.75 140.24 33.05 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.184 -0.947 . . . . 0.0 110.073 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -128.01 140.68 51.83 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t0 54.2 33.03 17.16 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.182 1.468 . . . . 0.0 112.331 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.06 -24.71 6.61 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.384 1.469 . . . . 0.0 114.785 -171.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -117.15 171.4 4.93 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 125.846 1.659 . . . . 0.0 114.068 -155.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -71.11 114.97 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.753 2.302 . . . . 0.0 113.424 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -87.57 153.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 C-N-CA 125.345 1.458 . . . . 0.0 111.035 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.88 137.18 34.29 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.95 -1.719 . . . . 0.0 112.167 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.77 -4.48 46.58 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -174.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -116.9 12.17 14.63 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 120.586 -1.322 . . . . 0.0 114.391 -158.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.94 -152.66 0.21 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.524 -1.36 . . . . 0.0 110.131 170.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.98 140.07 13.47 Favored Pre-proline 0 C--N 1.346 0.433 0 O-C-N 119.562 -1.961 . . . . 0.0 108.949 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.43 -25.64 55.84 Favored 'Trans proline' 0 CA--C 1.516 -0.376 0 CA-C-N 123.872 2.418 . . . . 0.0 113.789 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -77.77 -9.07 58.82 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.929 -1.107 . . . . 0.0 112.988 171.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -83.01 -44.77 14.85 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.354 -1.466 . . . . 0.0 109.794 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.45 -31.36 62.23 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.254 -0.904 . . . . 0.0 112.361 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.313 34.8 mt-10 82.85 -50.11 0.17 Allowed 'General case' 0 C--N 1.351 0.633 0 C-N-CA 128.467 2.707 . . . . 0.0 112.289 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.7 ttp -110.62 104.62 13.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 121.655 -0.653 . . . . 0.0 109.54 168.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -133.17 -15.23 2.57 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 123.108 1.432 . . . . 0.0 110.215 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.6 135.34 57.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.286 -2.134 . . . . 0.0 115.238 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.32 46.95 3.66 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 121.016 -1.052 . . . . 0.0 111.262 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 167.5 12.46 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.79 1.236 . . . . 0.0 112.594 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -148.0 58.69 1.11 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.831 1.652 . . . . 0.0 109.035 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.4 tt -77.34 120.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.7 -1.875 . . . . 0.0 113.338 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.82 133.81 33.81 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 119.455 -2.028 . . . . 0.0 110.849 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.29 124.93 71.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-O 122.786 1.279 . . . . 0.0 111.228 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -95.49 154.25 17.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 119.847 -1.783 . . . . 0.0 110.958 171.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -110.78 116.12 30.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.142 1.377 . . . . 0.0 107.867 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.346 0.417 0 CA-C-O 122.722 1.249 . . . . 0.0 111.473 175.606 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -157.24 148.86 22.23 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.712 -1.868 . . . . 0.0 111.594 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -101.07 148.78 6.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 120.738 -1.226 . . . . 0.0 111.851 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -93.26 135.73 34.19 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.036 -1.04 . . . . 0.0 110.173 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.35 132.62 55.36 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.545 -0.722 . . . . 0.0 109.246 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -107.46 121.37 44.48 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.549 1.139 . . . . 0.0 109.738 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.68 108.85 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 125.084 1.354 . . . . 0.0 109.01 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.0 112.98 25.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.86 -1.15 . . . . 0.0 110.175 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 124.93 8.32 Favored Glycine 0 C--N 1.347 1.163 0 O-C-N 120.555 -1.341 . . . . 0.0 111.347 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -67.48 -11.83 58.84 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.15 -1.206 . . . . 0.0 114.101 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -46.08 -23.19 0.29 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 127.668 2.387 . . . . 0.0 116.087 156.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 100.43 44.95 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 C-N-CA 130.238 3.415 . . . . 0.0 111.737 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.0 161.26 38.1 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.496 -1.378 . . . . 0.0 110.481 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.84 137.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.958 -1.089 . . . . 0.0 110.118 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.29 147.1 18.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -133.99 144.16 48.58 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.519 -1.988 . . . . 0.0 110.089 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -146.01 176.53 9.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.6 0.76 . . . . 0.0 109.031 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 137.63 37.24 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 121.078 -1.014 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 tt -123.51 146.01 29.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 121.158 -0.964 . . . . 0.0 111.604 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.11 149.44 41.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.216 1.406 . . . . 0.0 110.463 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.7 -39.08 93.04 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 119.785 -1.822 . . . . 0.0 115.054 -169.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -17.19 58.51 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.9 p -91.49 130.47 39.28 Favored Pre-proline 0 C--N 1.35 0.62 0 O-C-N 120.058 -1.651 . . . . 0.0 112.937 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.96 157.4 54.78 Favored 'Trans proline' 0 CA--C 1.519 -0.235 0 C-N-CA 122.504 2.136 . . . . 0.0 113.463 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.43 -38.61 81.35 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.369 1.068 . . . . 0.0 113.065 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -50.79 -38.35 47.87 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.298 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -58.86 -46.04 88.69 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.771 -1.206 . . . . 0.0 113.643 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.76 -48.36 38.98 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.709 -1.245 . . . . 0.0 111.186 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -57.98 -44.88 87.38 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.864 -1.148 . . . . 0.0 113.645 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.65 -44.79 89.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.869 1.267 . . . . 0.0 111.609 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.58 78.89 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.022 -1.049 . . . . 0.0 112.796 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.6 -50.3 65.61 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.454 1.102 . . . . 0.0 112.975 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -56.57 -51.16 69.67 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.665 -1.272 . . . . 0.0 114.054 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -67.6 -40.37 84.78 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.24 1.016 . . . . 0.0 111.98 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -67.9 -38.5 83.05 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.886 -1.759 . . . . 0.0 113.666 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.57 85.13 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.296 -1.502 . . . . 0.0 111.512 171.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.14 48.38 1.24 Allowed Glycine 0 CA--C 1.497 -1.075 0 C-N-CA 124.54 1.067 . . . . 0.0 110.934 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -137.11 161.98 34.65 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.418 -1.048 . . . . 0.0 110.21 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 m -105.85 163.06 13.02 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.09 -14.71 61.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.986 -1.696 . . . . 0.0 111.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -54.25 -50.92 66.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 127.341 2.256 . . . . 0.0 115.021 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -86.66 -11.78 11.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.05 -1.032 . . . . 0.0 113.564 -169.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.05 130.43 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.498 1.119 . . . . 0.0 109.209 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -114.19 149.44 35.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.869 -1.769 . . . . 0.0 108.114 170.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.74 153.77 30.41 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -144.82 153.59 41.79 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.083 0.953 . . . . 0.0 109.681 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -133.4 127.43 33.41 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.022 1.329 . . . . 0.0 108.194 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.45 29.53 5.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.52 -35.7 4.88 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 120.049 -1.657 . . . . 0.0 113.427 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -94.17 162.34 26.8 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 125.251 1.42 . . . . 0.0 112.731 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.35 159.25 53.61 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 CA-C-N 122.435 1.905 . . . . 0.0 110.389 157.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 tp -132.71 147.89 31.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 121.565 -0.71 . . . . 0.0 109.432 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.41 147.0 23.98 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.507 -1.37 . . . . 0.0 110.213 171.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 4.75 51.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.816 1.647 . . . . 0.0 112.294 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -77.45 -57.88 3.58 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.772 -1.205 . . . . 0.0 112.426 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 136.3 57.74 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.7 161.79 54.95 Favored Pre-proline 0 C--N 1.346 0.425 0 C-N-CA 125.602 1.561 . . . . 0.0 112.649 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.27 -9.2 22.95 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 121.786 1.658 . . . . 0.0 112.052 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -62.59 -35.36 79.29 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 125.548 1.539 . . . . 0.0 111.993 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 m -86.01 -38.51 17.81 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.948 1.299 . . . . 0.0 112.259 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.56 -36.58 65.64 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 76.82 -5.81 2.12 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.852 2.168 . . . . 0.0 116.852 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.38 169.37 9.07 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -86.97 155.71 20.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.159 1.457 . . . . 0.0 113.813 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.59 57.23 1.56 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.318 -2.114 . . . . 0.0 115.614 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.79 41.69 0.09 OUTLIER Glycine 0 CA--C 1.497 -1.074 0 O-C-N 120.864 -1.148 . . . . 0.0 110.65 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.46 163.72 15.81 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 122.135 0.969 . . . . 0.0 113.393 -167.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -117.5 113.84 22.59 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.511 1.524 . . . . 0.0 112.635 -171.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -111.38 143.29 21.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.816 -1.178 . . . . 0.0 108.735 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -101.6 148.89 24.69 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.885 -1.76 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.35 134.67 65.87 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.508 1.523 . . . . 0.0 109.601 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.11 120.29 31.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 172.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -106.36 173.87 6.13 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.329 -1.482 . . . . 0.0 113.0 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--N 1.348 0.521 0 C-N-CA 125.344 1.458 . . . . 0.0 113.532 160.582 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 123.948 1.832 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -96.73 134.87 39.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 120.116 -1.615 . . . . 0.0 111.747 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 pt -105.51 152.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 C-N-CA 124.297 1.039 . . . . 0.0 110.406 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.88 124.37 36.82 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.349 -0.844 . . . . 0.0 111.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.42 125.64 54.46 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -108.69 140.55 41.93 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.962 -1.086 . . . . 0.0 110.598 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.42 122.36 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 123.929 0.892 . . . . 0.0 108.969 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.55 98.18 7.6 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.39 -0.819 . . . . 0.0 110.511 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.93 137.73 19.76 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 120.065 -1.647 . . . . 0.0 114.749 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -67.57 -28.98 68.23 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.703 -1.469 . . . . 0.0 111.409 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.04 21.36 0.33 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 113.197 166.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 75.97 -8.14 1.68 Allowed 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.73 2.412 . . . . 0.0 115.858 166.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.06 30.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 120.963 -1.086 . . . . 0.0 112.914 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.36 124.01 70.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.99 161.91 39.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 121.152 -0.968 . . . . 0.0 108.959 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -149.79 130.95 14.48 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.517 -1.365 . . . . 0.0 113.064 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -124.82 162.76 23.62 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.468 1.107 . . . . 0.0 111.17 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -119.43 136.29 54.37 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.065 0.946 . . . . 0.0 109.543 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -139.16 151.37 23.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.85 -1.156 . . . . 0.0 109.085 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -66.34 128.47 36.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.193 -1.567 . . . . 0.0 109.96 167.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.7 -32.26 73.72 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.76 51.4 2.13 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 120.073 -1.642 . . . . 0.0 112.446 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.0 p -141.63 149.75 54.87 Favored Pre-proline 0 C--N 1.351 0.641 0 O-C-N 120.531 -1.356 . . . . 0.0 108.626 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.82 146.13 26.08 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 121.916 1.744 . . . . 0.0 112.536 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.11 -29.32 63.96 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.28 -0.888 . . . . 0.0 112.901 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.29 -26.93 61.64 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.931 -1.731 . . . . 0.0 113.8 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.17 -44.88 94.69 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.471 -1.393 . . . . 0.0 112.185 170.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.5 -47.92 74.34 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.057 0.943 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.0 mmt -52.68 -52.02 57.75 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.06 -48.04 83.59 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.331 1.052 . . . . 0.0 112.729 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.43 90.01 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.0 -1.687 . . . . 0.0 113.489 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.76 -48.91 67.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.643 -1.286 . . . . 0.0 112.615 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.34 -38.53 90.42 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.292 -1.505 . . . . 0.0 113.671 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -64.14 -23.13 67.2 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 173.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -44.08 9.33 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.361 -1.462 . . . . 0.0 112.161 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 119.85 -1.781 . . . . 0.0 114.394 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 60.59 1.63 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 121.365 -0.835 . . . . 0.0 111.684 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.34 175.24 10.94 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -104.1 138.03 41.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 120.77 -1.206 . . . . 0.0 111.07 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.22 -37.93 89.22 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.631 -1.293 . . . . 0.0 112.412 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -37.16 -44.26 0.55 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 129.579 3.152 . . . . 0.0 116.991 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.85 -4.23 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.961 -1.087 . . . . 0.0 113.654 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.7 t -109.34 81.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.734 -1.229 . . . . 0.0 109.109 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -90.76 99.93 12.87 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.486 -2.009 . . . . 0.0 114.65 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.58 143.8 46.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.486 1.915 . . . . 0.0 113.189 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -138.46 142.27 39.44 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.553 1.141 . . . . 0.0 108.128 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -111.87 125.65 54.25 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 61.05 25.72 15.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 123.887 1.803 . . . . 0.0 112.194 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.65 1.14 76.26 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.148 -1.595 . . . . 0.0 115.594 -170.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -113.54 155.46 44.79 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 119.701 1.751 . . . . 0.0 112.592 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.52 157.89 44.41 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.176 1.917 . . . . 0.0 110.821 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.97 157.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 O-C-N 121.057 -1.027 . . . . 0.0 109.532 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.95 127.44 32.87 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.558 -1.339 . . . . 0.0 110.605 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.82 -29.54 50.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.385 1.088 . . . . 0.0 111.818 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.49 0.38 42.69 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.336 -1.477 . . . . 0.0 111.12 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -174.35 4.68 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.267 1.508 . . . . 0.0 114.28 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.1 p -125.25 133.52 24.92 Favored Pre-proline 0 C--N 1.344 0.341 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.931 -164.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.09 1.6 8.52 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.355 2.037 . . . . 0.0 112.182 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 p -75.2 -41.88 56.81 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 125.949 1.7 . . . . 0.0 110.482 163.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -60.16 -49.21 78.55 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 122.364 1.078 . . . . 0.0 111.875 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.15 -19.32 62.44 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 55.27 51.45 13.1 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.845 1.658 . . . . 0.0 115.247 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -94.49 150.82 19.88 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 120.495 -1.378 . . . . 0.0 112.041 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.8 -99.5 0.14 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.49 1.516 . . . . 0.0 111.876 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.47 156.69 45.21 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.266 -1.521 . . . . 0.0 108.015 166.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 60.92 1.33 Allowed Glycine 0 CA--C 1.497 -1.066 0 O-C-N 121.358 -0.839 . . . . 0.0 113.577 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.77 154.46 38.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 122.021 -0.694 . . . . 0.0 109.803 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 p -142.13 81.14 1.74 Allowed 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 124.618 1.167 . . . . 0.0 108.344 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.79 123.76 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 122.454 1.121 . . . . 0.0 110.178 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.92 133.87 35.67 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 119.705 -1.872 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.36 125.15 74.16 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 O-C-N 120.512 -1.367 . . . . 0.0 110.797 -171.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 109.35 21.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 170.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.02 169.82 12.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.964 -1.085 . . . . 0.0 108.874 166.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--N 1.344 0.363 0 O-C-N 119.214 -2.179 . . . . 0.0 111.256 167.251 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -139.28 148.37 42.9 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 pt -103.64 170.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.744 1.618 . . . . 0.0 110.298 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -122.99 133.57 54.36 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 121.058 -1.026 . . . . 0.0 111.166 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.76 130.5 55.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -114.35 111.07 20.88 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.851 -1.156 . . . . 0.0 109.144 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.06 110.15 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 O-C-N 121.066 -1.021 . . . . 0.0 109.834 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.51 120.34 28.71 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.998 -1.064 . . . . 0.0 111.142 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.48 144.68 19.93 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 120.169 -1.582 . . . . 0.0 113.885 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -68.63 -28.98 67.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.116 -1.226 . . . . 0.0 113.603 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -94.96 67.61 3.13 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 119.692 -1.88 . . . . 0.0 109.693 160.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 74.17 -46.08 0.61 Allowed 'General case' 0 C--N 1.341 0.202 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 156.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.58 131.74 40.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.05 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 124.526 1.131 . . . . 0.0 108.836 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.63 128.14 75.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.475 -1.391 . . . . 0.0 108.801 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -106.81 138.32 43.21 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.141 -1.599 . . . . 0.0 112.654 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -121.1 170.22 9.76 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.57 1.176 . . . . 0.0 111.778 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -147.87 125.13 11.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 108.399 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -147.59 155.34 10.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 O-C-N 120.862 -1.149 . . . . 0.0 109.41 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -75.44 163.45 27.4 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.724 -1.86 . . . . 0.0 111.139 169.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.92 -13.83 60.26 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.489 -1.382 . . . . 0.0 113.626 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.99 -18.86 21.44 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.271 1.428 . . . . 0.0 113.619 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -102.87 128.59 27.49 Favored Pre-proline 0 C--N 1.345 0.4 0 O-C-N 120.694 -1.253 . . . . 0.0 107.738 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.25 158.1 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 122.302 1.858 . . . . 0.0 112.263 -162.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.71 -40.89 80.61 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.25 1.42 . . . . 0.0 112.175 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -52.88 -34.86 56.65 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.11 -44.25 84.87 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.173 -1.579 . . . . 0.0 111.568 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.98 -46.11 90.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.698 1.199 . . . . 0.0 111.965 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmt -55.16 -59.36 4.88 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -60.95 -39.27 88.89 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.542 -1.348 . . . . 0.0 113.546 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.69 83.58 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.678 -1.264 . . . . 0.0 113.896 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.404 -1.435 . . . . 0.0 113.496 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.86 -56.21 23.29 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.524 1.511 . . . . 0.0 112.969 168.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.65 -43.5 84.96 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.886 1.274 . . . . 0.0 113.121 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -75.31 -36.4 61.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.895 -1.753 . . . . 0.0 115.683 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -46.34 46.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.248 -1.533 . . . . 0.0 111.678 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.34 35.34 33.78 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.132 -0.98 . . . . 0.0 111.04 -173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.1 167.25 15.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.488 1.115 . . . . 0.0 111.511 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -106.83 116.32 31.72 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 120.814 -1.178 . . . . 0.0 110.882 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.4 tpp -69.61 -14.15 62.68 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.063 -1.648 . . . . 0.0 113.76 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -69.56 -11.98 61.27 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.349 -1.47 . . . . 0.0 114.749 168.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.68 15.36 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 119.958 -1.714 . . . . 0.0 112.285 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.86 132.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 109.087 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -143.14 150.11 39.0 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.648 -1.282 . . . . 0.0 108.612 165.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -128.51 152.71 47.95 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.072 0.949 . . . . 0.0 110.698 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -157.83 158.78 35.82 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 121.147 -0.971 . . . . 0.0 113.215 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -135.1 136.54 42.04 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 47.03 44.51 15.06 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.23 1.412 . . . . 0.0 114.662 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.84 -31.26 3.37 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.071 -1.643 . . . . 0.0 115.731 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -96.13 138.98 21.57 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 124.722 1.209 . . . . 0.0 114.064 -163.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.61 138.39 29.31 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.497 2.132 . . . . 0.0 111.743 169.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 tt -106.54 162.09 5.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 C-N-CA 123.892 0.877 . . . . 0.0 112.335 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -99.6 121.7 41.58 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.603 -1.311 . . . . 0.0 109.418 171.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -81.49 11.99 4.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.854 -1.779 . . . . 0.0 114.549 -175.76 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -102.64 2.24 35.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.844 1.658 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.8 171.11 14.91 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.053 -1.03 . . . . 0.0 109.472 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 p -132.47 148.53 69.99 Favored Pre-proline 0 N--CA 1.473 0.705 0 O-C-N 120.33 -1.481 . . . . 0.0 112.637 -172.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.15 1.74 8.39 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 121.87 1.714 . . . . 0.0 113.29 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.3 p -89.05 -31.02 18.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.266 1.394 . . . . 0.0 110.728 164.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -66.42 -34.32 77.69 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.156 0.983 . . . . 0.0 113.62 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.41 -69.13 0.79 Allowed 'General case' 0 CA--C 1.513 -0.462 0 O-C-N 120.147 -1.595 . . . . 0.0 112.362 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 84.36 48.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.733 2.413 . . . . 0.0 112.674 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -145.59 -5.58 0.64 Allowed 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.712 -1.242 . . . . 0.0 112.698 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 46.32 1.35 Allowed 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 119.913 -1.742 . . . . 0.0 114.226 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.95 -39.53 34.31 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.219 -2.175 . . . . 0.0 111.603 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.93 92.92 0.43 Allowed Glycine 0 C--N 1.349 1.255 0 C-N-CA 124.4 1.0 . . . . 0.0 111.538 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.38 163.16 19.71 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.035 0.921 . . . . 0.0 111.474 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -152.72 51.62 0.76 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 127.21 2.204 . . . . 0.0 109.373 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 138.26 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 119.405 -2.059 . . . . 0.0 113.788 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.06 151.49 19.41 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 118.556 -2.59 . . . . 0.0 111.942 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.56 129.07 72.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-O 123.36 1.553 . . . . 0.0 112.098 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -87.45 134.35 33.61 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.391 -1.443 . . . . 0.0 108.141 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -136.96 154.26 50.48 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.907 1.283 . . . . 0.0 108.619 -167.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.707 0 O-C-N 120.348 -1.47 . . . . 0.0 113.564 170.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 122.448 1.118 . . . . 0.0 112.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 158.01 42.51 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.491 -2.006 . . . . 0.0 110.567 -170.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 pt -136.95 164.01 31.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 O-C-N 121.249 -0.907 . . . . 0.0 109.503 171.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -104.38 150.56 24.4 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.929 -1.107 . . . . 0.0 111.704 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.48 142.73 47.29 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -103.34 134.97 45.83 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.752 1.221 . . . . 0.0 109.74 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.93 113.61 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.414 -0.804 . . . . 0.0 108.838 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -87.85 92.75 9.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.64 121.63 5.56 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.068 -1.02 . . . . 0.0 111.646 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.7 -17.59 64.63 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -82.05 10.64 6.26 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.314 -1.491 . . . . 0.0 112.815 170.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 m120 80.39 7.44 1.49 Allowed 'General case' 0 C--N 1.352 0.68 0 C-N-CA 128.713 2.805 . . . . 0.0 112.643 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.68 70.13 10.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 122.621 1.2 . . . . 0.0 112.255 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.9 t -77.56 136.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 C-N-CA 125.427 1.491 . . . . 0.0 111.244 -176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.22 159.16 22.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 O-C-N 120.189 -1.569 . . . . 0.0 108.91 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.06 153.48 41.49 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 119.687 -1.883 . . . . 0.0 109.918 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -153.73 154.42 34.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.281 -0.887 . . . . 0.0 111.477 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -95.97 132.43 41.31 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.208 1.004 . . . . 0.0 111.803 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 tt -112.31 144.44 20.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 109.316 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -80.19 125.53 29.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.579 -1.326 . . . . 0.0 108.09 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -75.72 -7.34 54.12 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.437 -2.039 . . . . 0.0 116.338 -156.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.91 -47.5 71.56 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.22 -1.55 . . . . 0.0 113.315 167.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 p -74.2 140.68 76.72 Favored Pre-proline 0 C--N 1.348 0.54 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -163.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.21 172.73 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.484 2.123 . . . . 0.0 111.424 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.92 -28.52 60.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -47.92 -46.88 32.37 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 -172.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -34.68 77.72 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.662 -1.274 . . . . 0.0 112.328 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.72 -49.0 19.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.736 -1.228 . . . . 0.0 110.875 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -63.41 1.13 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.98 1.712 . . . . 0.0 114.172 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -71.87 -27.21 62.71 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.073 -1.017 . . . . 0.0 112.718 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.11 92.31 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.631 -1.293 . . . . 0.0 112.671 167.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.22 -42.06 98.96 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 119.77 -1.831 . . . . 0.0 113.122 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -54.68 -57.37 11.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.993 -1.067 . . . . 0.0 113.73 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -75.98 -26.12 56.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -82.45 -19.63 38.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.268 -2.145 . . . . 0.0 113.356 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.51 -42.78 13.26 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.856 -1.152 . . . . 0.0 112.521 169.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.34 42.46 1.75 Allowed Glycine 0 C--N 1.348 1.248 0 C-N-CA 125.054 1.311 . . . . 0.0 112.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.32 171.79 13.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.563 -0.963 . . . . 0.0 111.809 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 m -118.82 143.58 46.85 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.57 -1.331 . . . . 0.0 111.887 -171.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -26.47 67.03 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.556 -1.34 . . . . 0.0 113.192 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -49.28 -48.79 45.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 168.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.96 -32.72 8.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.572 -1.33 . . . . 0.0 111.963 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.39 120.87 18.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.749 -1.22 . . . . 0.0 111.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.19 99.75 7.85 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 119.425 -2.047 . . . . 0.0 108.481 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -101.98 145.17 29.65 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.754 -1.217 . . . . 0.0 111.439 -174.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 147.24 39.41 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 120.732 -1.23 . . . . 0.0 109.806 172.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -128.66 142.03 51.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 63.77 22.11 12.94 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 123.433 1.587 . . . . 0.0 111.396 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -18.36 22.39 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 120.083 -1.636 . . . . 0.0 114.361 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -113.13 164.72 14.84 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 126.137 1.775 . . . . 0.0 113.364 -161.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.93 117.3 5.01 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 122.316 2.011 . . . . 0.0 112.803 167.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -94.36 144.75 9.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 C-N-CA 125.555 1.542 . . . . 0.0 112.589 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.23 123.43 41.01 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.45 -1.406 . . . . 0.0 112.139 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -71.72 -2.75 18.52 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -85.54 -22.29 28.18 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.831 1.252 . . . . 0.0 111.731 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 122.17 20.0 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.688 -1.257 . . . . 0.0 109.638 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.6 p -79.22 147.37 68.94 Favored Pre-proline 0 C--N 1.347 0.488 0 O-C-N 119.924 -1.735 . . . . 0.0 111.206 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -70.49 -16.14 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 CA-C-N 123.415 2.255 . . . . 0.0 112.781 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -78.48 -24.72 45.76 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.541 1.064 . . . . 0.0 112.606 169.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.2 m -72.52 -41.71 65.58 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.159 -1.588 . . . . 0.0 110.604 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.32 -35.44 79.43 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.734 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 68.22 44.53 1.37 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.244 1.418 . . . . 0.0 113.843 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 52.0 mtm -95.91 -177.71 4.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.691 -1.255 . . . . 0.0 112.637 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -120.31 -176.57 3.24 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.43 1.092 . . . . 0.0 113.718 -162.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.97 86.53 7.37 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.121 -1.612 . . . . 0.0 113.217 -172.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.21 64.95 0.08 OUTLIER Glycine 0 C--N 1.346 1.118 0 O-C-N 121.036 -1.04 . . . . 0.0 111.59 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.99 160.86 16.16 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.843 . . . . 0.0 111.857 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -133.0 114.26 13.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.1 -1.625 . . . . 0.0 113.947 -169.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -114.27 138.64 43.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.655 -1.278 . . . . 0.0 111.679 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.84 138.52 31.92 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.094 -1.629 . . . . 0.0 111.748 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.96 116.35 42.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 122.605 1.193 . . . . 0.0 110.953 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.02 123.9 33.77 Favored 'General case' 0 N--CA 1.442 -0.867 0 O-C-N 121.104 -0.998 . . . . 0.0 108.663 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -136.36 137.59 40.73 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.469 0 O-C-N 121.597 -0.69 . . . . 0.0 109.258 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -139.08 159.81 41.26 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.18 142.21 42.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 C-N-CA 123.848 0.859 . . . . 0.0 110.686 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -86.44 123.12 31.32 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 112.721 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.47 140.01 40.04 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.552 1.541 . . . . 0.0 109.795 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -115.99 114.72 24.99 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.041 -1.037 . . . . 0.0 110.034 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.94 115.05 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 O-C-N 120.419 -1.425 . . . . 0.0 109.56 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.84 117.38 33.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.51 0.724 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.08 147.51 18.61 Favored Glycine 0 C--N 1.347 1.141 0 O-C-N 120.659 -1.276 . . . . 0.0 112.981 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.82 -19.64 65.78 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.502 -1.587 . . . . 0.0 112.692 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.07 -7.1 53.93 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 130.397 3.479 . . . . 0.0 113.507 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.265 27.0 m120 75.42 21.98 1.72 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.327 2.251 . . . . 0.0 114.839 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.07 131.8 35.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.56 -1.338 . . . . 0.0 110.392 158.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.55 117.34 23.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.442 0 O-C-N 120.779 -1.2 . . . . 0.0 109.273 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.26 147.11 32.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 120.51 -1.368 . . . . 0.0 111.037 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -115.9 134.73 54.68 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.044 -1.035 . . . . 0.0 110.26 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -141.37 177.68 7.94 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -134.35 144.26 48.15 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.35 -1.469 . . . . 0.0 112.312 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 tt -116.0 146.21 20.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 C-N-CA 124.418 1.087 . . . . 0.0 108.499 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -80.65 136.08 36.15 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.989 -1.695 . . . . 0.0 109.969 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.32 -23.37 62.42 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -167.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -75.83 -20.6 58.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 120.735 -1.228 . . . . 0.0 113.814 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -93.14 128.43 43.11 Favored Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 120.542 -1.349 . . . . 0.0 109.49 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.52 161.5 42.14 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 121.983 1.789 . . . . 0.0 112.933 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.64 -30.17 66.72 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -171.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -46.61 -44.79 18.55 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 126.9 2.08 . . . . 0.0 114.762 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -49.44 76.98 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.573 1.149 . . . . 0.0 111.933 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.54 -53.4 52.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.772 0.829 . . . . 0.0 112.105 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -53.63 55.95 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.998 1.319 . . . . 0.0 114.018 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -73.3 -32.23 64.49 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.756 -1.215 . . . . 0.0 112.23 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.479 -1.388 . . . . 0.0 113.197 169.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.82 -46.2 88.2 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.84 -1.162 . . . . 0.0 112.2 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -55.5 -49.33 72.85 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.21 -44.71 71.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -79.18 -32.07 44.04 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 121.245 -0.909 . . . . 0.0 113.322 -173.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.16 61.32 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.682 -1.261 . . . . 0.0 110.881 166.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 42.68 3.4 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.267 -0.896 . . . . 0.0 114.483 164.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -118.84 0.31 Allowed 'General case' 0 C--N 1.344 0.341 0 C-N-CA 124.454 1.102 . . . . 0.0 110.774 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -173.19 162.02 4.39 Favored 'General case' 0 CA--C 1.504 -0.816 0 O-C-N 119.782 -1.824 . . . . 0.0 106.582 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 tpt -77.15 -26.95 53.59 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 122.225 1.012 . . . . 0.0 111.942 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -40.42 -68.36 0.18 Allowed 'General case' 0 C--N 1.347 0.462 0 C-N-CA 127.486 2.314 . . . . 0.0 115.387 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.15 9.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.393 0 O-C-N 120.216 -1.552 . . . . 0.0 114.892 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.38 89.91 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.593 1.557 . . . . 0.0 108.866 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -92.51 87.36 5.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 119.392 -2.067 . . . . 0.0 112.459 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -81.98 131.31 35.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.539 1.535 . . . . 0.0 113.517 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -136.85 140.82 42.67 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.367 -1.458 . . . . 0.0 110.02 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -126.51 133.03 51.25 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.458 -1.401 . . . . 0.0 108.094 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.73 7.4 4.49 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.974 1.31 . . . . 0.0 112.073 -167.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.42 -15.14 63.83 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 120.135 -1.603 . . . . 0.0 112.511 -168.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -101.96 161.08 24.54 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.603 1.561 . . . . 0.0 112.665 -168.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -71.49 156.69 57.79 Favored 'Trans proline' 0 C--N 1.331 -0.367 0 CA-C-N 122.202 1.822 . . . . 0.0 111.494 167.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.2 143.9 28.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 CA-C-O 122.001 0.905 . . . . 0.0 110.533 -170.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.46 111.23 5.85 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 125.341 1.456 . . . . 0.0 113.246 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.35 -32.14 73.62 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.124 -1.61 . . . . 0.0 114.202 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.92 81.98 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.9 159.24 33.0 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 124.15 1.929 . . . . 0.0 115.838 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 p -91.91 159.34 38.21 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 127.123 2.169 . . . . 0.0 107.36 169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -73.26 -4.24 15.07 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 CA-C-N 122.774 2.026 . . . . 0.0 113.236 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -75.02 -31.95 61.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.048 0.939 . . . . 0.0 111.798 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -54.51 -35.48 63.21 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.302 -1.499 . . . . 0.0 113.624 174.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.1 mt -98.17 1.52 47.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.678 1.191 . . . . 0.0 112.707 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 46.32 60.81 3.05 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.743 1.617 . . . . 0.0 114.525 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.77 170.57 11.61 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.894 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -132.61 -90.1 0.41 Allowed 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.648 1.179 . . . . 0.0 109.624 -161.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.27 171.85 7.66 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.481 0.712 . . . . 0.0 109.749 156.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.91 17.38 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 124.43 1.014 . . . . 0.0 111.941 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.26 101.64 0.44 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.617 1.967 . . . . 0.0 115.117 -166.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.6 p -80.65 103.32 10.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.922 -1.112 . . . . 0.0 111.745 176.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 tt -101.32 120.7 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -90.41 115.95 27.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 123.332 1.539 . . . . 0.0 110.294 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -110.41 110.25 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.031 -1.668 . . . . 0.0 111.238 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -85.04 91.43 8.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.576 -1.328 . . . . 0.0 109.29 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -85.6 131.52 34.34 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.345 -0.847 . . . . 0.0 110.388 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -169.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -151.63 162.48 40.91 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.205 -1.559 . . . . 0.0 115.134 -160.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 pt -102.6 166.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 124.509 1.124 . . . . 0.0 109.031 168.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.03 97.03 3.63 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.004 -1.06 . . . . 0.0 109.972 -165.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.39 121.72 25.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.882 -1.136 . . . . 0.0 111.073 -172.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -109.24 95.59 5.73 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.075 1.35 . . . . 0.0 107.661 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 t -101.52 114.32 40.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.04 -1.037 . . . . 0.0 109.988 -172.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.53 103.4 13.08 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.276 -0.89 . . . . 0.0 111.99 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.22 137.34 16.28 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.838 -1.788 . . . . 0.0 113.675 173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -27.96 65.4 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.377 1.471 . . . . 0.0 112.904 175.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.23 22.64 0.21 Allowed 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.79 2.436 . . . . 0.0 114.045 172.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 66.53 22.99 10.51 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 126.689 1.996 . . . . 0.0 113.576 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.37 87.31 4.1 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.779 -1.201 . . . . 0.0 110.618 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -99.32 113.54 34.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 120.916 -1.115 . . . . 0.0 108.988 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -127.87 146.16 33.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.93 -1.106 . . . . 0.0 111.793 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -118.95 134.62 55.07 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.816 1.246 . . . . 0.0 111.459 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.16 159.25 41.32 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.593 0.757 . . . . 0.0 109.801 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -128.9 134.09 48.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.138 -1.601 . . . . 0.0 113.763 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -121.49 148.8 24.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.234 -1.541 . . . . 0.0 109.231 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.37 146.53 40.78 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.077 -1.639 . . . . 0.0 113.212 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -80.27 42.12 0.56 Allowed 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.608 1.706 . . . . 0.0 115.608 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -132.77 -43.22 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.839 1.655 . . . . 0.0 109.719 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -74.36 125.66 89.66 Favored Pre-proline 0 C--N 1.35 0.59 0 C-N-CA 125.021 1.328 . . . . 0.0 111.432 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.98 160.52 42.9 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 CA-C-N 123.364 2.237 . . . . 0.0 112.496 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.75 -35.42 80.67 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.206 1.403 . . . . 0.0 112.985 -170.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -42.97 -46.77 5.56 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.38 2.272 . . . . 0.0 116.484 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -65.38 -37.69 87.75 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.294 -1.503 . . . . 0.0 112.831 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.98 -40.06 83.18 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.938 -1.101 . . . . 0.0 111.208 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.0 mmt -55.47 -50.55 69.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.299 1.04 . . . . 0.0 112.85 171.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.86 -55.36 35.4 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 121.028 -1.045 . . . . 0.0 112.714 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.879 1.272 . . . . 0.0 114.204 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -66.03 -40.74 91.28 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.857 -1.152 . . . . 0.0 112.902 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.23 -54.69 40.95 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.618 -1.301 . . . . 0.0 112.971 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.38 -42.6 98.97 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.923 1.289 . . . . 0.0 112.788 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -67.4 -40.67 85.63 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.172 -1.58 . . . . 0.0 113.254 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.06 -45.36 85.69 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 121.143 -0.973 . . . . 0.0 112.546 172.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.46 34.62 1.41 Allowed Glycine 0 C--N 1.345 1.071 0 C-N-CA 124.404 1.002 . . . . 0.0 112.653 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.4 -177.12 4.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.434 1.094 . . . . 0.0 109.547 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -140.1 168.0 20.82 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 120.304 -1.498 . . . . 0.0 110.463 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 tpt -66.64 -25.54 66.63 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 -166.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -66.62 -16.17 63.99 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -91.79 -0.87 9.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.671 -1.268 . . . . 0.0 112.074 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.6 t -110.98 109.08 27.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 O-C-N 120.612 -1.305 . . . . 0.0 110.938 -170.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.69 96.49 7.96 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.668 -1.895 . . . . 0.0 108.982 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -88.84 139.86 30.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.307 -0.871 . . . . 0.0 110.74 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -134.43 131.52 38.26 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.624 -1.297 . . . . 0.0 111.004 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -104.45 115.28 30.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.56 25.45 13.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.122 1.439 . . . . 0.0 114.533 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.0 -1.81 86.86 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 120.062 -1.649 . . . . 0.0 114.513 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -118.73 171.06 5.64 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 124.965 1.306 . . . . 0.0 111.095 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.95 168.61 24.37 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 121.911 1.718 . . . . 0.0 112.377 166.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.85 151.99 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.27 125.86 35.64 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.22 -1.55 . . . . 0.0 111.535 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.82 -23.53 67.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.278 1.831 . . . . 0.0 115.112 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.26 -32.22 24.54 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.712 1.205 . . . . 0.0 112.648 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -75.53 162.37 28.36 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 122.73 1.252 . . . . 0.0 112.5 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 p -100.87 152.62 37.89 Favored Pre-proline 0 C--N 1.349 0.575 0 O-C-N 120.022 -1.674 . . . . 0.0 111.865 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 -16.87 31.74 Favored 'Trans proline' 0 CA--C 1.52 -0.179 0 C-N-CA 122.317 2.011 . . . . 0.0 111.563 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 m -76.69 -35.34 57.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 126.426 1.89 . . . . 0.0 110.431 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.9 m -65.22 -43.39 91.61 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.865 -1.147 . . . . 0.0 111.815 169.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.62 -47.58 39.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.312 70.9 mt-10 74.86 66.63 0.08 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.274 1.829 . . . . 0.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 mmt -115.07 11.07 16.32 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.697 1.199 . . . . 0.0 111.402 174.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.281 23.5 tt0 58.32 -108.19 0.4 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.264 1.426 . . . . 0.0 114.147 -168.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.54 135.71 13.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.345 1.069 . . . . 0.0 110.036 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.79 48.18 0.11 Allowed Glycine 0 CA--C 1.493 -1.291 0 O-C-N 120.205 -1.559 . . . . 0.0 110.057 -176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 92.12 4.7 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 129.568 3.147 . . . . 0.0 111.973 -156.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -86.07 129.46 34.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.437 -1.414 . . . . 0.0 113.718 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 tt -145.53 132.46 15.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 120.124 -1.61 . . . . 0.0 110.716 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.94 142.68 30.13 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.975 -1.703 . . . . 0.0 110.979 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.04 116.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 CA-C-O 122.519 1.152 . . . . 0.0 112.107 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.29 96.32 10.21 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.616 -1.303 . . . . 0.0 111.266 174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 129.63 36.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.042 1.337 . . . . 0.0 110.213 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--N 1.348 0.54 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -176.232 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.298 2.2 tp10 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.2 139.54 50.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.52 1.528 . . . . 0.0 111.278 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 pt -97.38 154.96 3.66 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 O-C-N 121.334 -0.854 . . . . 0.0 110.878 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -101.68 113.06 25.87 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 110.807 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.63 114.54 26.89 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 121.289 -0.882 . . . . 0.0 109.723 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.2 111.93 24.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.124 1.369 . . . . 0.0 110.126 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.02 106.15 20.12 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 121.157 -0.964 . . . . 0.0 111.145 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.12 104.46 16.41 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.938 -1.101 . . . . 0.0 110.947 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.76 130.29 9.72 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 120.676 -1.265 . . . . 0.0 114.436 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -55.63 14.64 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.12 1.768 . . . . 0.0 112.503 170.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.47 23.25 0.41 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.091 2.557 . . . . 0.0 113.352 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 75.81 2.0 3.63 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 127.906 2.483 . . . . 0.0 114.789 167.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 108.53 16.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 121.029 -1.044 . . . . 0.0 111.278 174.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -110.65 133.26 56.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 O-C-N 120.596 -1.315 . . . . 0.0 109.903 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.2 m -133.55 164.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.727 -1.233 . . . . 0.0 110.003 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.67 133.74 19.29 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.315 -1.491 . . . . 0.0 110.625 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.57 162.53 23.86 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.748 -1.22 . . . . 0.0 111.864 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 142.37 51.55 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 121.317 -0.865 . . . . 0.0 110.685 169.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.26 148.66 17.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 O-C-N 120.888 -1.133 . . . . 0.0 108.688 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.46 141.72 34.97 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.12 -1.612 . . . . 0.0 110.485 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -56.38 -20.53 19.79 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 -167.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -79.2 -20.76 47.55 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.058 1.743 . . . . 0.0 114.619 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.2 m -97.25 128.56 34.61 Favored Pre-proline 0 C--N 1.347 0.473 0 O-C-N 120.642 -1.286 . . . . 0.0 108.294 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.06 164.48 35.37 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 CA-C-N 123.092 2.14 . . . . 0.0 112.432 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.91 -41.18 95.78 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.357 1.063 . . . . 0.0 112.875 -165.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -35.36 -46.98 0.4 Allowed 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.105 2.562 . . . . 0.0 116.032 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -38.3 85.31 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.012 -1.68 . . . . 0.0 112.784 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.2 -47.47 50.34 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 121.163 -0.961 . . . . 0.0 111.337 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.84 -51.22 70.48 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.669 1.188 . . . . 0.0 113.544 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.8 -45.71 93.33 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.205 1.002 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.08 94.16 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.94 -47.07 81.92 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.963 -1.086 . . . . 0.0 113.377 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.77 -42.17 91.16 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.196 -1.565 . . . . 0.0 113.721 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.83 -55.35 33.57 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.215 1.406 . . . . 0.0 113.464 170.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -73.52 -33.7 64.89 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.903 -1.123 . . . . 0.0 112.046 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.59 42.37 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.143 -1.598 . . . . 0.0 112.966 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.95 4.52 22.61 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 121.169 -0.957 . . . . 0.0 113.063 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 129.14 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 120.837 -1.39 . . . . 0.0 110.697 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -89.2 127.38 35.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.275 -1.516 . . . . 0.0 109.474 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.0 tpt -62.68 -35.1 78.58 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -162.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.8 -2.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 O-C-N 120.921 -1.112 . . . . 0.0 113.131 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.16 121.83 62.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 O-C-N 121.063 -1.023 . . . . 0.0 109.181 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.31 116.63 32.23 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.233 -1.542 . . . . 0.0 110.982 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -125.58 132.39 52.55 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -135.46 148.41 49.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.493 -1.379 . . . . 0.0 112.451 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.74 120.46 35.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.037 1.335 . . . . 0.0 108.13 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 54.58 39.8 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 122.704 1.24 . . . . 0.0 113.338 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -7.67 78.08 Favored Glycine 0 C--N 1.351 1.38 0 O-C-N 120.313 -1.492 . . . . 0.0 116.071 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.49 157.13 66.24 Favored Pre-proline 0 C--N 1.347 0.497 0 CA-C-N 119.171 1.485 . . . . 0.0 110.927 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.27 150.66 65.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 CA-C-N 122.963 2.094 . . . . 0.0 111.7 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 tt -117.18 136.97 52.63 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-O 122.523 1.154 . . . . 0.0 110.916 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -98.53 120.71 39.43 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.989 -1.069 . . . . 0.0 109.606 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.56 -24.25 63.68 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -166.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -77.23 -29.4 54.1 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.652 -1.28 . . . . 0.0 114.267 -165.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -86.49 176.39 7.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.842 1.306 . . . . 0.0 112.56 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -98.89 149.25 35.57 Favored Pre-proline 0 C--N 1.347 0.479 0 O-C-N 119.646 -1.909 . . . . 0.0 113.816 -171.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.51 1.58 8.65 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.143 1.895 . . . . 0.0 111.961 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -81.34 -32.6 32.94 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.97 1.308 . . . . 0.0 111.372 171.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -71.17 -41.77 69.93 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 120.001 -1.687 . . . . 0.0 112.469 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.03 -12.97 61.82 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.294 69.8 mt-10 29.61 71.09 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 115.844 -163.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.8 tpp -92.97 151.25 20.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.92 -94.56 0.1 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.492 -1.38 . . . . 0.0 111.913 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.92 140.03 34.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 158.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.32 59.16 0.07 OUTLIER Glycine 0 CA--C 1.486 -1.774 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.73 85.14 5.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 122.98 1.372 . . . . 0.0 109.272 -163.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.0 p -86.97 114.7 23.8 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.941 1.696 . . . . 0.0 113.999 -172.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -119.65 134.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 O-C-N 121.002 -1.061 . . . . 0.0 110.547 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.13 138.99 31.02 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.242 -1.536 . . . . 0.0 108.866 171.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.29 122.47 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 122.819 1.295 . . . . 0.0 109.653 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -106.05 108.77 20.45 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.598 -1.314 . . . . 0.0 108.057 170.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -94.48 152.5 18.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 120.65 -1.281 . . . . 0.0 108.724 168.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.449 -0.493 0 O-C-N 119.648 -1.907 . . . . 0.0 112.901 177.246 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 . . . . . 0 C--O 1.235 0.324 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -119.73 161.45 20.72 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.853 -1.155 . . . . 0.0 112.997 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -130.68 143.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 124.41 1.084 . . . . 0.0 109.17 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -99.74 148.66 24.15 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.687 -1.258 . . . . 0.0 113.076 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.19 151.68 37.92 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.372 1.069 . . . . 0.0 109.236 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.16 117.91 29.94 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.79 1.236 . . . . 0.0 110.291 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.6 121.3 61.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.569 -1.332 . . . . 0.0 110.016 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.02 99.45 9.2 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.124 -0.985 . . . . 0.0 110.903 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.29 132.69 12.95 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.204 -1.56 . . . . 0.0 114.057 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -10.69 60.05 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.767 -1.431 . . . . 0.0 112.697 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -85.71 5.56 31.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.672 2.389 . . . . 0.0 112.174 168.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 80.33 14.06 0.84 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 129.493 3.117 . . . . 0.0 113.376 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.07 76.93 8.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.214 -1.554 . . . . 0.0 112.348 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.48 117.3 30.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 O-C-N 120.267 -1.52 . . . . 0.0 110.109 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.44 160.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.968 -1.083 . . . . 0.0 110.256 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -150.84 145.25 25.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.835 -1.79 . . . . 0.0 112.292 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -141.64 165.21 28.1 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 109.678 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -125.81 146.09 49.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.75 0.786 . . . . 0.0 111.744 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.27 156.94 30.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 121.286 -0.883 . . . . 0.0 111.071 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.2 146.56 36.94 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.615 -1.303 . . . . 0.0 110.864 170.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -51.19 -45.21 61.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.702 2.001 . . . . 0.0 115.757 -171.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -2.0 58.31 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.808 1.643 . . . . 0.0 115.057 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.4 m -87.73 119.0 70.45 Favored Pre-proline 0 C--N 1.344 0.363 0 O-C-N 119.563 -1.961 . . . . 0.0 109.958 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.63 157.72 40.0 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.575 1.955 . . . . 0.0 112.836 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.93 -41.03 97.76 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.58 1.152 . . . . 0.0 112.793 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -42.56 -41.23 2.94 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 128.295 2.638 . . . . 0.0 115.955 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -24.53 62.84 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.077 -1.64 . . . . 0.0 112.9 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 tt -86.18 -45.49 11.29 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.272 1.029 . . . . 0.0 110.615 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.5 mmt -57.4 -48.61 78.64 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 120.51 -1.369 . . . . 0.0 113.882 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.3 -32.85 73.29 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.537 -1.352 . . . . 0.0 111.345 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.01 71.6 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.511 -1.368 . . . . 0.0 113.467 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -56.09 -53.01 62.13 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.884 -1.135 . . . . 0.0 112.086 172.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.6 -45.34 70.02 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.334 1.054 . . . . 0.0 113.701 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -50.56 46.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.028 1.731 . . . . 0.0 113.976 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.1 -42.28 56.93 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.982 -1.699 . . . . 0.0 113.16 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.61 -31.35 61.98 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.387 -1.446 . . . . 0.0 111.923 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.79 60.07 1.82 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 121.248 -0.907 . . . . 0.0 111.735 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.17 163.69 32.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.099 0.952 . . . . 0.0 111.284 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -88.45 146.02 25.45 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.743 -1.223 . . . . 0.0 108.584 172.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.23 -23.81 64.85 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.355 -1.466 . . . . 0.0 111.604 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -59.81 -27.52 66.66 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -96.69 -0.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.475 -1.391 . . . . 0.0 112.145 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.13 107.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.972 1.309 . . . . 0.0 108.031 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -123.49 107.29 11.41 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.479 -2.013 . . . . 0.0 111.02 -170.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -109.35 147.88 32.0 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -169.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 144.4 50.45 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.85 1.26 . . . . 0.0 109.743 175.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -124.11 115.78 21.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.416 1.886 . . . . 0.0 108.08 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 59.55 26.81 15.87 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 123.175 1.464 . . . . 0.0 112.826 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.5 -25.45 20.78 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 119.974 -1.704 . . . . 0.0 114.016 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -89.91 159.15 43.55 Favored Pre-proline 0 C--N 1.341 0.238 0 O-C-N 120.603 -1.528 . . . . 0.0 110.22 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -71.2 150.4 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 CA-C-N 123.561 2.307 . . . . 0.0 110.967 160.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 tt -107.07 164.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 O-C-N 121.301 -0.875 . . . . 0.0 108.738 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -117.18 153.27 33.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.866 -1.146 . . . . 0.0 108.253 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -106.12 -4.63 20.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -163.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.09 -36.93 58.71 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 119.33 -2.106 . . . . 0.0 115.799 -166.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.52 169.1 16.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.187 1.795 . . . . 0.0 114.691 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.7 p -87.76 147.86 42.32 Favored Pre-proline 0 C--N 1.351 0.65 0 O-C-N 120.454 -1.404 . . . . 0.0 108.117 165.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.03 -3.04 13.15 Favored 'Trans proline' 0 C--N 1.332 -0.298 0 C-N-CA 121.997 1.798 . . . . 0.0 113.526 -167.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -68.12 -26.36 65.76 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.756 -1.215 . . . . 0.0 114.237 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -76.28 -1.44 26.58 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.572 -1.33 . . . . 0.0 113.8 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -91.03 -24.44 20.06 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.923 -1.111 . . . . 0.0 112.499 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.263 75.2 mt-10 43.98 74.73 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.707 2.403 . . . . 0.0 116.699 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 tpp -127.25 -6.18 5.98 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.835 -1.165 . . . . 0.0 113.052 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.298 30.3 tt0 57.28 -88.84 0.02 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.272 1.429 . . . . 0.0 114.808 -153.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.26 176.89 11.21 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.684 -1.26 . . . . 0.0 110.859 -175.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.07 37.48 15.5 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 120.938 -1.101 . . . . 0.0 111.688 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.29 129.18 36.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.855 1.262 . . . . 0.0 111.137 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 p -109.88 90.76 3.4 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.604 1.192 . . . . 0.0 113.986 -163.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -101.85 141.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 O-C-N 119.966 -1.708 . . . . 0.0 111.252 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -109.02 150.34 27.91 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 119.962 -1.711 . . . . 0.0 110.605 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.68 130.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 122.95 1.357 . . . . 0.0 112.927 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.0 122.9 29.4 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 119.86 -1.775 . . . . 0.0 109.499 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -127.44 145.26 50.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 C--N 1.349 0.567 0 O-C-N 120.139 -1.601 . . . . 0.0 114.878 -172.924 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 123.661 1.696 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.37 -179.54 6.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.404 -1.435 . . . . 0.0 110.484 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 pt -127.8 142.89 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 120.76 -1.213 . . . . 0.0 108.328 161.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -92.61 99.81 12.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 165.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.19 133.07 40.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.303 -1.498 . . . . 0.0 111.653 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -91.75 112.73 24.77 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.928 -1.107 . . . . 0.0 111.007 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 t -110.71 112.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.748 0.819 . . . . 0.0 110.667 -170.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.39 119.8 39.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.198 -0.939 . . . . 0.0 110.732 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.41 147.9 16.93 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 123.108 1.393 . . . . 0.0 114.622 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.08 -16.0 62.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.564 1.546 . . . . 0.0 113.656 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -92.2 17.08 10.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.115 1.766 . . . . 0.0 112.119 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.54 16.19 1.58 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.336 2.254 . . . . 0.0 112.352 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 139.55 37.03 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 120.227 -1.546 . . . . 0.0 112.563 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.52 111.44 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 168.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.65 169.57 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 O-C-N 121.088 -1.007 . . . . 0.0 108.91 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -157.05 144.35 18.77 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.333 -1.479 . . . . 0.0 109.297 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -140.73 154.66 46.41 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 121.303 -0.873 . . . . 0.0 111.325 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -101.94 123.52 45.99 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 121.139 -0.976 . . . . 0.0 112.383 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.48 139.85 50.53 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 124.162 0.985 . . . . 0.0 109.713 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -62.89 144.37 56.76 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.06 -1.65 . . . . 0.0 111.501 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -66.26 -33.63 76.17 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.84 -1.788 . . . . 0.0 113.633 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -84.09 0.6 47.73 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 p -101.87 143.7 27.11 Favored Pre-proline 0 C--N 1.355 0.82 0 O-C-N 119.3 -2.125 . . . . 0.0 112.226 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.23 165.68 25.44 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.401 2.068 . . . . 0.0 114.397 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.11 -47.7 34.47 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.842 1.257 . . . . 0.0 114.132 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -40.27 -47.74 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.65 -48.5 72.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 113.193 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.89 -42.66 80.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.84 1.256 . . . . 0.0 111.471 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 95.5 mtp -56.34 -52.69 63.63 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.59 1.156 . . . . 0.0 112.829 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -64.01 -46.78 82.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.87 78.24 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -71.47 -41.77 68.95 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.067 -1.021 . . . . 0.0 112.528 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.3 m -59.08 -49.8 76.48 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.64 -1.288 . . . . 0.0 113.733 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.02 -33.69 71.03 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -73.74 -48.02 34.91 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.276 -1.515 . . . . 0.0 113.73 173.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.27 -35.46 77.34 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.944 -1.098 . . . . 0.0 112.039 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 4.07 58.75 Favored Glycine 0 CA--C 1.495 -1.189 0 O-C-N 121.143 -0.973 . . . . 0.0 112.825 166.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.07 -178.97 6.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.089 1.423 . . . . 0.0 113.916 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -110.29 114.62 28.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 120.593 -1.317 . . . . 0.0 109.856 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.1 ttm -59.86 -39.63 85.85 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -167.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -58.68 -30.4 67.34 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.5 11.04 2.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.07 -1.019 . . . . 0.0 112.389 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.08 108.7 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.576 1.551 . . . . 0.0 107.766 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -103.55 155.94 18.15 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 119.568 -1.957 . . . . 0.0 110.623 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -136.49 120.11 17.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.565 -0.709 . . . . 0.0 110.64 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.88 151.15 30.8 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.349 -1.469 . . . . 0.0 111.269 170.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -131.43 102.04 5.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.939 -1.101 . . . . 0.0 108.129 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 54.69 71.68 0.51 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.67 1.588 . . . . 0.0 113.421 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 -57.19 3.68 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 120.407 -1.433 . . . . 0.0 114.402 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -77.19 154.9 82.4 Favored Pre-proline 0 N--CA 1.444 -0.73 0 C-N-CA 125.78 1.632 . . . . 0.0 113.305 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.6 148.87 73.28 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.26 1.973 . . . . 0.0 111.254 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.13 144.12 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 122.074 0.94 . . . . 0.0 112.926 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -88.74 140.06 29.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.541 -1.35 . . . . 0.0 108.875 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -95.61 -21.57 18.15 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.811 1.244 . . . . 0.0 111.86 -168.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.0 -38.55 20.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.123 1.369 . . . . 0.0 113.436 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.43 171.74 12.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 123.604 1.669 . . . . 0.0 114.371 -174.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.3 p -104.76 156.44 35.96 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 125.491 1.516 . . . . 0.0 109.652 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 -6.88 19.76 Favored 'Trans proline' 0 C--N 1.332 -0.338 0 CA-C-N 122.303 1.858 . . . . 0.0 112.873 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 p -72.08 -35.2 69.19 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.053 1.297 . . . . 0.0 111.845 164.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -70.38 -17.47 63.04 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 119.712 -1.867 . . . . 0.0 113.531 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.56 8.63 17.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.398 1.079 . . . . 0.0 111.198 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.307 44.7 mt-10 23.92 75.42 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.888 2.475 . . . . 0.0 117.554 -164.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.1 mmt -98.89 166.38 11.32 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.422 1.089 . . . . 0.0 111.739 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -102.71 -70.25 0.76 Allowed 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.744 -1.223 . . . . 0.0 114.041 -157.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 166.83 134.49 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.16 2.184 . . . . 0.0 107.665 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.45 22.96 78.09 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 120.423 -1.423 . . . . 0.0 113.446 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.18 137.38 48.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.584 1.153 . . . . 0.0 111.388 -170.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.2 p -93.76 118.8 31.9 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.128 -1.608 . . . . 0.0 114.874 -164.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -111.58 142.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 123.826 0.85 . . . . 0.0 109.46 170.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 148.12 26.64 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.316 -1.49 . . . . 0.0 109.808 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 t -124.05 131.03 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 122.476 1.131 . . . . 0.0 109.419 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -112.81 86.15 2.31 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 120.859 -1.151 . . . . 0.0 109.725 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 152.07 19.06 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.561 -1.337 . . . . 0.0 111.24 170.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 123.079 1.419 . . . . 0.0 113.205 170.673 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 1.5 t-160 -160.17 67.31 0.36 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 120.901 1.682 . . . . 0.0 111.595 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -58.96 158.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.93 141.09 37.92 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.045 -1.659 . . . . 0.0 110.326 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.75 153.06 46.03 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 164.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -121.9 135.48 54.88 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.234 -0.916 . . . . 0.0 109.276 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.17 112.78 39.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 O-C-N 120.488 -1.382 . . . . 0.0 110.748 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -94.97 104.94 16.83 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.592 1.157 . . . . 0.0 109.77 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.56 129.8 9.94 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 120.196 -1.565 . . . . 0.0 111.288 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.1 -23.53 67.18 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.272 -1.134 . . . . 0.0 114.013 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.28 44.2 0.07 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.29 -1.506 . . . . 0.0 112.585 160.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 66.79 -26.78 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.335 2.654 . . . . 0.0 117.464 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.53 112.49 6.07 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.61 125.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.652 -1.28 . . . . 0.0 109.599 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -135.03 140.5 45.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.609 -1.307 . . . . 0.0 109.094 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -106.83 152.86 23.32 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.548 -1.345 . . . . 0.0 110.525 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -147.96 167.02 25.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.136 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE3' ' CG ' ' A' ' 12' ' ' HIS . 26.8 mtmt -115.11 148.1 39.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.002 -1.061 . . . . 0.0 110.265 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.8 tt -140.78 -179.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -115.57 138.41 51.08 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 119.555 -1.965 . . . . 0.0 107.683 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.2 -6.31 38.58 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.718 2.007 . . . . 0.0 113.692 -165.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.47 -23.79 67.4 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.467 1.507 . . . . 0.0 113.626 163.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.72 132.02 50.29 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 120.298 -1.501 . . . . 0.0 112.491 -166.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.15 165.09 32.79 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 CA-C-N 123.324 2.223 . . . . 0.0 112.382 170.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.03 -41.19 64.48 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 121.148 -0.97 . . . . 0.0 112.509 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -50.58 -45.88 57.53 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -55.19 -42.81 73.75 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.404 -1.435 . . . . 0.0 113.85 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.84 -45.37 82.46 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.872 -1.143 . . . . 0.0 112.028 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.7 mtm -63.06 -48.67 77.69 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 120.975 -1.078 . . . . 0.0 113.875 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -61.45 -35.05 76.51 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.437 -0.789 . . . . 0.0 113.065 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.64 55.26 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.537 -1.352 . . . . 0.0 112.823 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -60.71 -48.31 82.36 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.358 -1.464 . . . . 0.0 114.507 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.818 -1.177 . . . . 0.0 113.636 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.54 -26.63 60.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -69.34 -41.57 76.46 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.089 -2.257 . . . . 0.0 111.866 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.0 38.96 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.717 170.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.15 47.24 0.89 Allowed Glycine 0 CA--C 1.499 -0.934 0 C-N-CA 125.293 1.425 . . . . 0.0 111.311 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.64 165.76 25.59 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.285 -1.126 . . . . 0.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -89.97 129.84 36.25 Favored 'General case' 0 CA--C 1.506 -0.73 0 O-C-N 120.853 -1.154 . . . . 0.0 111.598 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.16 -33.4 67.38 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.93 -24.69 54.45 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.64 -24.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 119.675 -1.891 . . . . 0.0 111.809 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.49 103.03 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 126.223 1.809 . . . . 0.0 110.448 -170.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.97 102.35 13.35 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.394 -2.067 . . . . 0.0 111.817 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -89.02 144.38 26.2 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.629 1.171 . . . . 0.0 112.243 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -137.67 153.72 49.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 121.094 -1.004 . . . . 0.0 110.043 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -139.78 136.54 34.2 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.432 -1.418 . . . . 0.0 109.132 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.01 36.14 21.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 123.321 1.534 . . . . 0.0 113.852 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 -30.75 6.21 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.57 -1.331 . . . . 0.0 114.367 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -112.55 163.22 18.37 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.294 -1.121 . . . . 0.0 112.331 -159.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.1 168.09 25.65 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.879 2.386 . . . . 0.0 111.228 170.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 tp -137.02 138.48 45.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-O 122.617 1.198 . . . . 0.0 111.849 -174.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -79.83 121.63 25.64 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.83 -1.169 . . . . 0.0 110.928 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -74.99 -6.41 49.2 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -167.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -77.15 -30.52 55.08 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.633 1.173 . . . . 0.0 113.563 -175.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -74.78 168.31 20.11 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.837 1.303 . . . . 0.0 113.147 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.2 p -113.37 153.87 45.51 Favored Pre-proline 0 C--O 1.234 0.28 0 O-C-N 120.299 -1.501 . . . . 0.0 111.074 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.52 -8.32 20.46 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 121.836 1.691 . . . . 0.0 112.178 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 p -71.73 -31.11 66.35 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.318 1.847 . . . . 0.0 111.907 169.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -51.78 15.74 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.764 1.269 . . . . 0.0 110.67 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.26 -43.98 97.99 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.788 1.635 . . . . 0.0 114.175 -176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.26 47.4 mt-10 69.52 46.92 0.7 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.018 1.327 . . . . 0.0 111.508 -169.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 ptp -76.59 160.7 29.2 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.769 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -110.25 164.43 12.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 123.246 1.498 . . . . 0.0 111.053 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.42 55.14 0.23 Allowed 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 119.383 -2.073 . . . . 0.0 113.962 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.66 17.19 0.05 OUTLIER Glycine 0 CA--C 1.498 -0.973 0 O-C-N 119.8 -1.813 . . . . 0.0 114.697 171.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -85.3 135.14 34.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.783 1.292 . . . . 0.0 114.242 -159.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -84.39 118.83 24.5 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.961 1.304 . . . . 0.0 113.493 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -97.58 138.55 22.12 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.961 -1.087 . . . . 0.0 109.059 163.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 145.13 26.75 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.49 -1.381 . . . . 0.0 109.644 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.7 107.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 122.725 1.25 . . . . 0.0 109.539 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -85.03 95.08 8.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.716 1.207 . . . . 0.0 110.742 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.3 158.67 26.07 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 124.761 1.224 . . . . 0.0 112.547 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--N 1.348 0.518 0 O-C-N 120.765 -1.209 . . . . 0.0 111.529 -179.113 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.654 0.74 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -168.94 103.39 0.39 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.039 1.335 . . . . 0.0 108.819 -166.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 pt -99.04 152.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 119.651 -1.905 . . . . 0.0 112.843 -164.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -91.43 132.95 35.88 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.16 0.984 . . . . 0.0 112.465 -172.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 138.17 49.13 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.12 1.368 . . . . 0.0 107.936 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -118.55 117.07 27.99 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.15 -1.594 . . . . 0.0 111.99 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.69 119.63 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 120.577 -1.327 . . . . 0.0 109.565 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.93 100.58 10.12 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.135 0.974 . . . . 0.0 110.411 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.1 139.28 15.59 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 120.171 -1.58 . . . . 0.0 113.878 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -68.67 -7.7 35.76 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.291 -1.711 . . . . 0.0 113.564 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.78 -3.29 43.64 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.347 -2.096 . . . . 0.0 112.716 166.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 93.77 2.01 0.07 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 129.85 3.26 . . . . 0.0 111.874 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 121.95 25.72 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.762 -1.837 . . . . 0.0 112.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -114.9 109.76 29.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.932 -1.105 . . . . 0.0 109.216 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.51 130.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 O-C-N 120.797 -1.189 . . . . 0.0 110.676 -171.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -97.52 127.69 43.68 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.542 -1.349 . . . . 0.0 112.079 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -116.78 -175.26 2.73 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.359 1.464 . . . . 0.0 108.736 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -146.15 133.0 20.09 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 119.832 -1.792 . . . . 0.0 111.756 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.82 138.22 49.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 O-C-N 120.263 -1.523 . . . . 0.0 111.527 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -72.07 109.65 6.01 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.289 -2.132 . . . . 0.0 109.34 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -72.26 49.74 0.2 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -140.2 -48.63 0.45 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.3 2.24 . . . . 0.0 107.043 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -76.88 128.08 82.35 Favored Pre-proline 0 C--N 1.347 0.49 0 CA-C-O 117.089 -1.434 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.13 176.25 9.81 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.596 2.197 . . . . 0.0 113.436 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 35' ' ' LEU . 2.4 mm? -51.82 -36.24 47.23 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.773 2.429 . . . . 0.0 114.73 -169.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -41.7 -47.09 3.94 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.597 1.959 . . . . 0.0 115.543 172.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -62.09 -38.48 89.0 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.683 -1.261 . . . . 0.0 112.706 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.23 -55.88 6.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.351 -0.843 . . . . 0.0 110.923 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.3 mtm -67.75 -34.08 76.13 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -172.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.38 -44.5 71.35 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.025 -1.672 . . . . 0.0 110.413 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.71 98.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.793 -1.817 . . . . 0.0 114.315 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.44 8.46 5.1 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.02 -70.03 0.66 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.616 -1.302 . . . . 0.0 108.905 156.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.83 -50.69 71.27 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -170.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -86.0 9.08 18.12 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.477 -1.39 . . . . 0.0 112.758 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.97 -48.28 5.48 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 121.095 -1.003 . . . . 0.0 109.339 159.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.52 29.41 1.18 Allowed Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.494 1.521 . . . . 0.0 113.515 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -135.12 -175.45 3.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.756 1.223 . . . . 0.0 108.762 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.7 m -134.03 164.07 28.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 108.989 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -31.95 31.3 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 120.138 -1.601 . . . . 0.0 112.01 -171.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -54.51 -20.44 7.77 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.82 -0.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 119.989 -1.694 . . . . 0.0 113.788 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.5 t -107.14 142.12 20.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.701 -1.249 . . . . 0.0 109.259 -177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.15 137.99 50.62 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 119.359 -2.088 . . . . 0.0 107.937 167.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.18 151.98 36.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 120.498 -1.376 . . . . 0.0 111.513 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.6 150.8 45.43 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.44 -0.787 . . . . 0.0 111.511 177.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -127.81 129.91 47.79 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 57.94 24.06 10.57 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 123.882 1.801 . . . . 0.0 113.177 -168.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -0.31 82.8 Favored Glycine 0 C--N 1.349 1.251 0 O-C-N 119.467 -2.02 . . . . 0.0 114.775 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -111.8 155.26 43.45 Favored Pre-proline 0 N--CA 1.451 -0.396 0 O-C-N 120.772 -1.428 . . . . 0.0 112.36 -175.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.92 105.01 1.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.512 2.141 . . . . 0.0 111.711 166.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.5 162.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 125.186 1.394 . . . . 0.0 110.986 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -82.71 158.01 23.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.445 -2.034 . . . . 0.0 112.454 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -32.2 34.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 119.831 -1.793 . . . . 0.0 111.356 169.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.57 35.71 1.11 Allowed 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 120.422 -1.424 . . . . 0.0 111.113 168.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.92 170.89 15.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 119.706 -1.871 . . . . 0.0 112.242 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.4 p -116.99 133.14 23.14 Favored Pre-proline 0 C--N 1.344 0.334 0 O-C-N 121.096 -1.002 . . . . 0.0 110.531 -169.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.98 20.77 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.944 2.43 . . . . 0.0 113.312 -168.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -73.82 -42.78 60.41 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.637 -1.29 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 m -71.63 -7.04 45.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.561 -1.337 . . . . 0.0 114.07 177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.79 -7.77 59.63 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.757 1.223 . . . . 0.0 111.399 175.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 63.99 17.82 10.83 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.17 1.388 . . . . 0.0 114.081 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . 0.375 18.6 ptp 42.86 58.14 3.33 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -161.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.88 -169.95 2.83 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.828 -1.17 . . . . 0.0 110.899 169.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.14 158.35 42.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 120.645 -1.284 . . . . 0.0 108.648 162.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.97 27.79 13.2 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 120.637 -1.289 . . . . 0.0 111.15 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.04 102.69 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 130.311 3.444 . . . . 0.0 114.456 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 p -82.88 100.93 10.67 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.306 -1.496 . . . . 0.0 113.18 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 tt -98.46 125.1 51.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 122.403 1.097 . . . . 0.0 109.908 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 138.76 31.31 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.056 -1.652 . . . . 0.0 110.599 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -126.99 129.32 71.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.067 0.937 . . . . 0.0 113.113 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -117.7 161.13 20.18 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.78 1.632 . . . . 0.0 108.666 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -128.95 171.74 12.03 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 123.133 1.444 . . . . 0.0 114.057 -161.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 124.334 1.054 . . . . 0.0 112.482 168.664 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -120.42 163.08 18.44 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.312 -1.493 . . . . 0.0 114.152 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.09 169.52 20.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 108.258 161.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -136.02 86.56 2.24 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.164 -0.96 . . . . 0.0 110.994 -164.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.9 140.73 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 122.644 1.211 . . . . 0.0 114.095 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -114.58 103.84 11.41 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 126.671 1.989 . . . . 0.0 107.862 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -104.42 109.4 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 120.975 -1.078 . . . . 0.0 110.123 -170.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.82 100.87 10.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.782 -1.199 . . . . 0.0 110.686 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.43 121.39 9.93 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 120.904 -1.123 . . . . 0.0 111.201 169.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.79 -12.1 61.35 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.704 1.24 . . . . 0.0 114.086 -173.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -73.33 -21.81 60.46 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.253 2.221 . . . . 0.0 112.74 167.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 108.9 13.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 1 C-N-CA 131.709 4.003 . . . . 0.0 110.39 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 74.65 10.09 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.074 -1.641 . . . . 0.0 112.373 172.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.97 109.99 13.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 O-C-N 119.644 -1.91 . . . . 0.0 111.217 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.11 175.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.779 -1.201 . . . . 0.0 110.696 -175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.37 159.77 34.21 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 119.816 -1.802 . . . . 0.0 110.155 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -164.29 -171.44 2.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.055 0.542 . . . . 0.0 109.62 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -129.53 153.19 48.27 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.829 -1.169 . . . . 0.0 110.878 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.9 tt -134.35 161.25 40.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -83.65 144.76 29.19 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.315 -1.491 . . . . 0.0 108.34 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -67.95 -24.97 65.23 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.572 -1.955 . . . . 0.0 114.057 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -27.61 61.65 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.95 1.3 . . . . 0.0 114.221 176.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -96.15 141.71 23.53 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 119.551 -1.968 . . . . 0.0 112.36 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.14 162.08 26.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.608 1.539 . . . . 0.0 112.172 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.33 -34.38 78.19 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.778 1.231 . . . . 0.0 113.067 -170.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -50.77 -41.49 56.9 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.48 1.512 . . . . 0.0 114.567 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.982 1.313 . . . . 0.0 113.038 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.33 -34.63 23.65 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.38 -1.45 . . . . 0.0 111.98 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.8 mmt -56.65 -46.45 81.03 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.08 -1.638 . . . . 0.0 113.028 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -67.56 -17.48 64.66 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.23 -56.1 4.95 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.619 -1.926 . . . . 0.0 111.306 168.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -34.86 79.46 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.04 -62.35 1.72 Allowed 'General case' 0 C--N 1.354 0.766 0 O-C-N 121.235 -0.915 . . . . 0.0 112.964 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.77 -28.54 62.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.234 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 119.828 -1.795 . . . . 0.0 113.403 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -45.35 52.57 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.413 1.085 . . . . 0.0 111.77 171.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 41.67 2.51 Favored Glycine 0 C--N 1.345 1.083 0 C-N-CA 125.164 1.364 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.94 -173.95 2.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 121.238 -1.154 . . . . 0.0 110.875 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 m -130.67 151.03 51.57 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.329 -1.482 . . . . 0.0 109.828 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.7 ttm -68.18 -36.35 79.46 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -166.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.63 4.78 0.97 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.42 -10.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 119.542 -1.974 . . . . 0.0 112.09 166.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -107.91 97.44 5.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.344 1.058 . . . . 0.0 109.823 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -114.26 112.4 23.06 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.432 -1.418 . . . . 0.0 112.166 -170.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -86.21 147.2 26.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.999 1.319 . . . . 0.0 113.475 -176.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -139.38 135.26 33.49 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.884 -1.135 . . . . 0.0 109.17 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -133.88 128.29 34.31 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.461 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 65.88 9.88 6.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.637 1.575 . . . . 0.0 113.517 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.88 -11.19 59.02 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 119.463 -2.023 . . . . 0.0 112.441 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -111.92 168.67 7.29 Favored Pre-proline 0 N--CA 1.451 -0.416 0 O-C-N 121.056 -1.261 . . . . 0.0 111.699 -171.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.36 165.84 31.5 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.975 1.783 . . . . 0.0 110.612 156.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -136.58 145.14 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -96.79 139.12 33.31 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.397 -1.439 . . . . 0.0 109.623 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -73.71 -6.24 45.61 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 -170.766 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -80.12 -32.58 39.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.532 1.533 . . . . 0.0 114.336 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -76.64 128.49 34.8 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.002 -1.061 . . . . 0.0 112.921 -171.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.4 p -95.06 154.89 39.52 Favored Pre-proline 0 C--N 1.348 0.513 0 O-C-N 120.444 -1.41 . . . . 0.0 110.373 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.27 -8.1 21.44 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.884 1.723 . . . . 0.0 112.448 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 p -70.83 -51.85 24.1 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.898 1.681 . . . . 0.0 111.004 163.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.4 m -66.85 -35.28 79.68 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.562 -1.337 . . . . 0.0 113.173 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.98 -8.65 59.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 33.96 20.95 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.993 1.717 . . . . 0.0 115.522 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.3 mmt -83.89 165.61 18.58 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.522 -1.986 . . . . 0.0 115.621 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.63 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.9 1.68 . . . . 0.0 113.47 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.54 155.96 20.32 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.08 -1.012 . . . . 0.0 110.794 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.68 45.95 1.17 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 125.308 1.432 . . . . 0.0 110.212 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.74 103.78 16.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 124.817 1.247 . . . . 0.0 113.831 -139.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.4 p -86.19 129.61 34.79 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.764 -1.835 . . . . 0.0 114.812 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.06 147.64 15.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -110.13 154.4 23.35 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 119.43 -2.044 . . . . 0.0 112.924 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.69 126.96 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-O 123.451 1.596 . . . . 0.0 111.785 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -91.95 98.85 11.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.088 -1.632 . . . . 0.0 109.434 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -109.97 157.53 19.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 162.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.028 -1.045 . . . . 0.0 109.516 173.223 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -153.9 -174.6 5.02 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.098 -1.626 . . . . 0.0 109.637 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -129.98 161.22 40.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.867 0.841 . . . . 0.0 109.414 164.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.71 153.41 18.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.462 1.905 . . . . 0.0 110.615 169.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.35 144.91 44.87 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.227 -0.92 . . . . 0.0 110.938 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -108.88 115.66 30.51 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.688 -1.257 . . . . 0.0 110.942 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -109.13 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-O 121.95 0.881 . . . . 0.0 109.728 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.37 103.33 15.98 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.344 -1.472 . . . . 0.0 111.583 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 124.49 7.08 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.475 -1.39 . . . . 0.0 114.611 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.25 -34.95 24.88 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.96 -5.61 39.78 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.367 -1.458 . . . . 0.0 114.795 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.293 22.8 m120 98.9 -7.62 0.04 OUTLIER 'General case' 0 C--N 1.349 0.563 0 C-N-CA 129.381 3.072 . . . . 0.0 113.452 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.19 75.61 3.75 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 119.933 -1.729 . . . . 0.0 112.585 170.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -79.54 127.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 C-N-CA 125.784 1.634 . . . . 0.0 109.716 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.22 153.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 CA-C-O 122.786 1.279 . . . . 0.0 112.314 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.76 122.78 47.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.708 -1.245 . . . . 0.0 109.845 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -107.22 166.3 10.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.571 1.176 . . . . 0.0 110.157 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -130.71 137.87 49.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 tt -143.49 140.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 O-C-N 120.716 -1.24 . . . . 0.0 110.152 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -78.32 139.37 38.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.319 -1.488 . . . . 0.0 109.213 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -62.9 -31.62 72.72 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -159.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -78.98 -12.03 60.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.4 m -84.17 125.95 71.06 Favored Pre-proline 0 C--N 1.344 0.353 0 O-C-N 120.215 -1.553 . . . . 0.0 111.5 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.35 149.83 51.5 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 CA-C-N 122.818 2.042 . . . . 0.0 111.987 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.0 -45.08 83.27 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.823 1.249 . . . . 0.0 112.933 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -38.83 -48.66 1.56 Allowed 'General case' 0 C--N 1.343 0.31 0 C-N-CA 128.254 2.621 . . . . 0.0 117.186 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.126 -0.983 . . . . 0.0 112.685 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -91.7 -52.32 4.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.504 -1.373 . . . . 0.0 110.198 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -50.03 75.29 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.184 1.394 . . . . 0.0 113.478 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -68.64 -24.57 64.56 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.417 -1.427 . . . . 0.0 113.329 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.26 77.74 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.564 -1.335 . . . . 0.0 112.185 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -67.19 -35.54 79.85 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.78 -1.825 . . . . 0.0 112.688 167.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.3 m -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.504 -1.372 . . . . 0.0 113.701 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -59.49 -48.84 80.11 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.378 1.071 . . . . 0.0 113.357 169.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -63.04 -43.93 97.32 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.463 1.105 . . . . 0.0 113.487 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.76 63.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.566 -1.334 . . . . 0.0 112.137 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.43 51.49 1.31 Allowed Glycine 0 C--N 1.345 1.075 0 C-N-CA 125.18 1.371 . . . . 0.0 110.851 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -148.54 -178.15 6.17 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 121.156 -1.202 . . . . 0.0 112.37 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.8 m -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.877 -1.139 . . . . 0.0 110.433 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.46 4.0 12.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.259 1.504 . . . . 0.0 114.068 -178.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.92 -63.55 1.06 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.66 1.984 . . . . 0.0 111.034 162.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.2 -41.4 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.551 1.14 . . . . 0.0 112.789 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.33 129.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 O-C-N 121.028 -1.045 . . . . 0.0 109.78 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -113.08 173.59 6.32 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.22 -1.55 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.69 159.44 44.52 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.902 -1.749 . . . . 0.0 112.521 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -139.94 149.54 43.43 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.622 1.169 . . . . 0.0 109.191 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -113.86 111.48 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.87 28.87 16.69 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.005 1.383 . . . . 0.0 113.656 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.08 60.8 Favored Glycine 0 C--N 1.357 1.715 0 O-C-N 120.376 -1.452 . . . . 0.0 114.338 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -112.42 162.95 19.09 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 120.651 -1.5 . . . . 0.0 113.274 -163.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.86 108.2 2.04 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 122.776 2.318 . . . . 0.0 114.372 173.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -84.31 157.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.517 162.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -106.75 144.66 33.09 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 119.96 -1.713 . . . . 0.0 110.462 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.24 -17.01 63.12 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.385 -2.072 . . . . 0.0 114.635 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -79.6 -11.0 59.89 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 119.908 -1.745 . . . . 0.0 113.641 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -68.88 159.7 32.07 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 122.706 1.241 . . . . 0.0 112.796 -175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.37 140.6 19.25 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 119.879 -1.763 . . . . 0.0 109.77 -171.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.34 -16.26 22.09 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 CA-C-N 122.051 1.768 . . . . 0.0 112.527 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.1 p -74.32 -17.68 60.81 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 120.307 1.412 . . . . 0.0 112.98 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 m -85.36 -13.43 49.51 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.691 -1.256 . . . . 0.0 111.442 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.08 -54.38 2.54 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.66 1.184 . . . . 0.0 112.648 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.268 16.7 mt-10 62.28 69.41 0.62 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.5 mmt -117.73 -122.9 0.29 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 121.061 -1.024 . . . . 0.0 111.314 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.44 -149.6 0.35 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.961 1.704 . . . . 0.0 111.196 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.32 172.71 12.77 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.907 -1.746 . . . . 0.0 110.367 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.49 34.85 11.2 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 121.061 -1.024 . . . . 0.0 112.933 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.57 153.89 32.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -163.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -106.11 101.27 10.77 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.24 1.416 . . . . 0.0 114.608 -159.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 tt -116.82 126.61 74.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.558 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.67 133.11 43.46 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.88 -1.763 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -121.19 127.37 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 123.284 1.516 . . . . 0.0 110.977 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.58 89.68 3.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.371 -1.456 . . . . 0.0 110.354 -171.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -94.46 142.51 27.35 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 162.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.347 0.495 0 O-C-N 121.136 -0.977 . . . . 0.0 111.365 -179.365 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 123.122 1.439 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -164.14 172.65 13.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.509 -1.369 . . . . 0.0 107.335 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 pt -124.01 148.41 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.524 0.678 . . . . 0.0 110.305 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.82 150.91 22.32 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.941 -1.1 . . . . 0.0 110.018 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -128.86 142.45 50.96 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.223 -0.923 . . . . 0.0 108.658 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -107.92 138.74 43.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.756 1.222 . . . . 0.0 109.776 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.57 122.19 67.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.83 120.14 41.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 109.97 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.82 144.32 18.78 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 119.765 -1.834 . . . . 0.0 113.284 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -72.6 -28.17 62.62 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.175 -1.779 . . . . 0.0 110.588 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -26.96 62.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.112 2.565 . . . . 0.0 113.772 164.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.251 0.3 OUTLIER 93.5 24.75 0.01 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 129.285 3.034 . . . . 0.0 112.869 173.364 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 151.43 24.62 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.91 -1.119 . . . . 0.0 111.452 163.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 t -132.52 117.66 32.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 O-C-N 120.525 -1.36 . . . . 0.0 108.882 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -121.16 151.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 O-C-N 120.656 -1.277 . . . . 0.0 107.667 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.58 143.4 30.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.622 -1.924 . . . . 0.0 113.125 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -120.11 158.23 27.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.094 0.957 . . . . 0.0 112.46 -171.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -124.08 116.52 22.92 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 125.489 1.516 . . . . 0.0 108.704 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -142.93 145.33 23.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.756 -1.84 . . . . 0.0 112.432 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.09 154.01 28.36 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 119.081 -2.262 . . . . 0.0 112.27 174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -62.64 -28.92 70.24 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -82.63 -7.23 59.66 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.626 -1.296 . . . . 0.0 114.465 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -98.34 119.54 61.48 Favored Pre-proline 0 C--N 1.346 0.423 0 O-C-N 120.205 -1.56 . . . . 0.0 109.736 -171.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.19 159.92 29.81 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 CA-C-N 123.116 2.148 . . . . 0.0 112.884 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.31 -32.6 62.91 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.433 1.093 . . . . 0.0 112.237 -171.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -47.53 -44.8 26.1 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.588 1.955 . . . . 0.0 114.817 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -38.8 86.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.181 -0.949 . . . . 0.0 112.589 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.95 -47.7 82.08 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.8 -1.187 . . . . 0.0 111.636 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.4 mmm -55.06 -57.73 10.55 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.344 1.057 . . . . 0.0 113.494 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.34 -35.85 81.77 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.661 -1.274 . . . . 0.0 113.714 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.61 87.41 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.425 -1.422 . . . . 0.0 113.593 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.77 -35.34 78.52 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.541 -1.349 . . . . 0.0 113.082 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.55 -53.58 56.5 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.72 -1.238 . . . . 0.0 113.489 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -67.16 -27.78 67.57 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -75.21 -45.29 41.37 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.121 -1.612 . . . . 0.0 113.702 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.75 -48.49 10.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.65 14.82 39.28 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 124.841 1.21 . . . . 0.0 113.937 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.08 -169.45 0.94 Allowed 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.451 1.501 . . . . 0.0 112.712 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -152.34 156.34 39.41 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 118.936 -2.353 . . . . 0.0 110.539 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -70.02 -34.41 73.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.779 -1.201 . . . . 0.0 112.683 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.07 -9.07 19.37 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.7 -5.96 10.85 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.077 -1.639 . . . . 0.0 111.96 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.27 103.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 125.141 1.376 . . . . 0.0 108.16 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 103.83 15.78 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 118.846 -2.409 . . . . 0.0 108.491 175.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.9 138.28 42.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.443 1.097 . . . . 0.0 111.432 -171.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -142.8 145.76 33.55 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.807 -1.183 . . . . 0.0 111.455 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -111.64 125.71 54.25 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 49.83 40.59 20.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 122.899 1.333 . . . . 0.0 114.322 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.42 64.37 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 119.417 -2.052 . . . . 0.0 116.068 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -124.57 162.67 41.26 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 120.73 -1.453 . . . . 0.0 111.836 -164.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.19 162.64 31.27 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.458 2.106 . . . . 0.0 111.595 171.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -148.05 154.53 10.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -103.75 151.04 23.5 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.773 -1.204 . . . . 0.0 111.362 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -19.3 11.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.592 1.957 . . . . 0.0 112.42 -170.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.08 -23.52 64.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.905 -1.747 . . . . 0.0 113.363 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -74.4 172.63 11.57 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 123.255 1.502 . . . . 0.0 112.68 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -89.52 144.9 32.72 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 126.153 1.781 . . . . 0.0 110.801 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.53 -6.76 19.84 Favored 'Trans proline' 0 C--N 1.336 -0.127 0 CA-C-N 122.892 2.068 . . . . 0.0 113.654 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -73.92 -25.91 60.24 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.008 -1.057 . . . . 0.0 112.648 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -68.11 -18.34 64.61 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.938 1.695 . . . . 0.0 114.449 -168.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.03 -19.5 23.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.494 1.518 . . . . 0.0 113.03 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 61.68 29.58 18.18 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.5 mmt -77.02 -72.03 0.37 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.234 -2.166 . . . . 0.0 113.466 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 146.09 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.879 3.271 . . . . 0.0 107.185 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -122.92 167.72 13.22 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.647 -1.283 . . . . 0.0 108.243 160.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.52 65.52 1.56 Allowed Glycine 0 C--N 1.347 1.146 0 O-C-N 120.877 -1.14 . . . . 0.0 113.248 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -71.05 154.8 41.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 163.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -140.11 64.92 1.43 Allowed 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.268 1.427 . . . . 0.0 107.518 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -80.45 127.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 O-C-N 120.949 -1.095 . . . . 0.0 111.511 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.53 132.3 39.35 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.103 -1.623 . . . . 0.0 111.598 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.4 t -116.56 124.33 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 125.1 1.36 . . . . 0.0 110.877 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 104.03 14.52 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.419 -1.425 . . . . 0.0 108.252 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.82 144.69 31.88 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.589 -1.32 . . . . 0.0 111.598 171.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 O-C-N 120.641 -1.287 . . . . 0.0 111.369 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -126.19 155.4 41.84 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.525 -1.359 . . . . 0.0 112.571 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 pt -113.81 -153.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 111.266 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.16 83.12 1.56 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.737 -1.852 . . . . 0.0 110.883 -165.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.29 126.14 30.46 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.92 -1.112 . . . . 0.0 111.164 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -111.02 103.95 12.46 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.46 102.56 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.73 94.39 9.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.911 -1.118 . . . . 0.0 109.746 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.18 118.17 6.2 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 120.961 -1.087 . . . . 0.0 112.03 173.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -11.32 60.71 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.834 -1.392 . . . . 0.0 112.898 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -77.63 0.73 22.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.927 1.691 . . . . 0.0 112.496 167.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 99.51 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.228 3.411 . . . . 0.0 111.278 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.32 81.26 8.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.441 -1.412 . . . . 0.0 113.4 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -80.7 118.34 28.26 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 O-C-N 120.264 -1.523 . . . . 0.0 109.708 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.84 162.18 40.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 O-C-N 120.654 -1.279 . . . . 0.0 108.79 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -154.65 152.77 30.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 119.614 -1.929 . . . . 0.0 111.527 -173.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -165.09 166.8 18.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.784 0.802 . . . . 0.0 109.982 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -106.65 122.25 45.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.136 -1.602 . . . . 0.0 111.719 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 tt -98.55 150.33 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.008 -1.683 . . . . 0.0 109.026 172.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -77.11 136.13 38.61 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.706 -1.246 . . . . 0.0 109.274 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -68.54 -18.67 64.41 Favored 'General case' 0 C--N 1.347 0.5 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 -166.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -12.31 59.56 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 121.026 -1.047 . . . . 0.0 112.649 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.4 m -91.04 123.12 65.5 Favored Pre-proline 0 C--N 1.346 0.436 0 O-C-N 120.631 -1.293 . . . . 0.0 110.747 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.37 158.6 48.08 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 122.79 2.032 . . . . 0.0 112.486 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.11 -36.89 72.31 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 123.557 0.743 . . . . 0.0 112.911 -170.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -47.68 -44.91 27.82 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.5 -44.15 95.15 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.877 -1.139 . . . . 0.0 112.901 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.07 -45.99 89.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.734 -1.228 . . . . 0.0 112.215 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.9 -48.45 81.38 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.903 -1.123 . . . . 0.0 113.381 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -66.15 -42.2 89.35 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.54 -1.35 . . . . 0.0 112.747 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.89 78.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.784 -1.197 . . . . 0.0 113.819 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.3 -45.03 77.72 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.646 -1.284 . . . . 0.0 113.327 170.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.5 m -53.49 -46.57 70.06 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.581 -1.324 . . . . 0.0 113.147 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.93 -54.76 18.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.652 1.581 . . . . 0.0 113.84 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -76.98 -28.79 55.24 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.077 -1.64 . . . . 0.0 113.959 -172.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.15 -36.57 30.05 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.958 -1.714 . . . . 0.0 111.651 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.8 73.77 1.28 Allowed Glycine 0 C--N 1.348 1.22 0 C-N-CA 124.567 1.08 . . . . 0.0 112.13 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.08 -172.0 4.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.848 1.259 . . . . 0.0 109.155 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -128.01 157.75 39.78 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.884 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.5 ttm -79.66 -0.38 33.71 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.492 -2.005 . . . . 0.0 113.866 -171.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -71.53 -42.99 67.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 119.694 -1.879 . . . . 0.0 113.132 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.53 -22.03 7.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 O-C-N 120.794 -1.191 . . . . 0.0 112.632 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.18 103.01 14.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 124.596 1.158 . . . . 0.0 109.072 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -108.82 132.94 53.52 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.472 -1.392 . . . . 0.0 110.279 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -118.31 149.96 40.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.863 -1.148 . . . . 0.0 113.038 -170.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -142.15 161.03 39.05 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.582 1.153 . . . . 0.0 108.579 168.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -123.65 125.81 45.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t70 50.34 41.88 25.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 114.295 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.68 -20.9 44.24 Favored Glycine 0 C--N 1.353 1.496 0 O-C-N 120.292 -1.505 . . . . 0.0 116.343 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -120.14 150.17 50.74 Favored Pre-proline 0 C--N 1.351 0.674 0 CA-C-N 119.566 1.683 . . . . 0.0 113.888 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.33 110.33 2.64 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.93 2.42 . . . . 0.0 112.729 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 tt -85.7 155.03 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 122.278 1.037 . . . . 0.0 113.012 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -74.68 141.38 44.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.66 -1.275 . . . . 0.0 110.562 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -19.32 19.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.516 -1.365 . . . . 0.0 113.279 -172.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -74.48 -27.52 60.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.478 -1.389 . . . . 0.0 114.485 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.16 174.22 11.77 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 119.902 -1.749 . . . . 0.0 115.23 -171.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.58 47.54 Favored Pre-proline 0 C--N 1.346 0.418 0 C-N-CA 126.219 1.808 . . . . 0.0 112.07 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -5.19 16.54 Favored 'Trans proline' 0 N--CA 1.471 0.17 0 C-N-CA 122.961 2.441 . . . . 0.0 113.47 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 p -73.08 -30.94 64.05 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.194 0.998 . . . . 0.0 111.361 163.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -66.26 -35.71 81.11 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.111 -1.618 . . . . 0.0 112.517 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.57 6.61 48.37 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.249 -0.907 . . . . 0.0 111.72 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.251 36.3 mt-10 41.8 59.77 2.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 127.387 2.275 . . . . 0.0 115.851 -176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.08 169.39 10.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 -168.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.81 -117.66 0.02 OUTLIER 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.053 2.141 . . . . 0.0 111.712 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.38 152.44 27.56 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 125.496 1.518 . . . . 0.0 106.904 166.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.43 56.53 0.26 Allowed Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -97.59 93.16 6.27 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.083 0.944 . . . . 0.0 110.105 -151.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 48.9 p -83.4 99.25 9.94 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -170.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.8 tt -104.47 129.72 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 124.419 1.088 . . . . 0.0 108.77 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.98 140.94 29.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.679 -1.888 . . . . 0.0 109.077 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.85 114.72 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 122.925 1.345 . . . . 0.0 109.181 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -85.84 112.8 21.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 124.557 1.143 . . . . 0.0 108.441 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.19 142.16 47.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.282 1.433 . . . . 0.0 108.986 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 N--CA 1.447 -0.597 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 172.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ttt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 p -57.98 -48.82 78.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.985 1.714 . . . . 0.0 113.973 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.69 -0.58 7.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.459 1.903 . . . . 0.0 114.766 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -129.09 -45.16 1.26 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.557 -1.34 . . . . 0.0 112.311 -172.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.8 63.38 0.84 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 122.626 1.203 . . . . 0.0 113.653 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -112.06 68.52 0.67 Allowed 'General case' 0 C--N 1.349 0.575 0 O-C-N 119.884 -1.76 . . . . 0.0 111.795 -173.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.69 82.61 0.08 OUTLIER Glycine 0 C--N 1.346 1.132 0 O-C-N 121.218 -0.926 . . . . 0.0 112.386 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.44 148.71 5.94 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 121.286 -1.126 . . . . 0.0 112.203 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 86.51 124.99 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 128.299 2.64 . . . . 0.0 113.093 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 m -93.13 -78.9 0.41 Allowed 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.79 -1.194 . . . . 0.0 113.049 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -80.52 94.22 6.21 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 122.656 1.217 . . . . 0.0 112.2 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.481 ' CD2' ' HZ3' ' A' ' 28' ' ' LYS . 22.9 p80 -140.22 161.33 37.92 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.412 1.101 . . . . 0.0 112.065 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.72 151.92 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 125.271 1.428 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.95 143.06 32.29 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.64 134.05 55.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 108.533 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -108.34 120.79 43.4 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.65 116.51 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 O-C-N 120.916 -1.115 . . . . 0.0 109.058 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.93 118.59 36.92 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.252 1.025 . . . . 0.0 111.525 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.11 144.25 29.53 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.576 -1.952 . . . . 0.0 111.974 171.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.74 -38.41 60.85 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 126.964 2.105 . . . . 0.0 113.822 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -67.38 -92.39 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 127.7 2.4 . . . . 0.0 113.735 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.9 -6.47 0.12 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.437 1.895 . . . . 0.0 111.621 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.61 124.75 29.24 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.447 -2.033 . . . . 0.0 113.574 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -126.46 133.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 O-C-N 120.381 -1.449 . . . . 0.0 108.528 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.48 167.36 26.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 109.678 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -141.46 136.45 31.29 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.043 -1.661 . . . . 0.0 112.542 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -120.64 171.95 8.21 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.226 1.41 . . . . 0.0 111.397 -172.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HZ3' ' CD2' ' A' ' 12' ' ' HIS . 18.9 ttpp -136.52 133.1 36.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.002 1.321 . . . . 0.0 108.924 -174.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tt -151.24 156.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.817 -1.177 . . . . 0.0 110.423 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -71.79 147.1 47.58 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 119.734 -1.854 . . . . 0.0 111.626 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.56 -21.63 64.53 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.868 -1.77 . . . . 0.0 114.694 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -75.96 -42.04 49.66 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.075 1.35 . . . . 0.0 113.52 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -76.28 144.49 74.84 Favored Pre-proline 0 C--N 1.342 0.253 0 O-C-N 120.454 -1.404 . . . . 0.0 114.083 -165.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.9 161.54 43.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.461 2.107 . . . . 0.0 111.245 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.05 -19.96 53.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -164.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -56.62 -41.94 77.95 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -77.08 -6.05 51.28 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 121.094 -1.004 . . . . 0.0 113.583 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -90.2 -51.85 5.24 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.101 -0.999 . . . . 0.0 109.255 163.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 88.7 mtp -54.97 -63.75 1.05 Allowed 'General case' 0 C--N 1.354 0.776 0 C-N-CA 125.578 1.551 . . . . 0.0 114.655 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.6 -30.37 70.64 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.456 -1.402 . . . . 0.0 111.655 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.1 83.17 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.045 -1.034 . . . . 0.0 113.733 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -67.57 -36.56 81.18 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.512 0.725 . . . . 0.0 112.78 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -58.03 -43.62 86.88 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.281 -1.512 . . . . 0.0 114.207 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.98 -49.53 61.13 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.261 1.024 . . . . 0.0 113.462 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.89 -1.756 . . . . 0.0 113.772 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.1 -48.65 15.55 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.097 -1.627 . . . . 0.0 112.421 165.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.0 0.87 Allowed Glycine 0 C--N 1.348 1.243 0 C-N-CA 125.647 1.594 . . . . 0.0 112.686 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.17 168.63 19.3 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 m -100.48 134.28 43.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.699 -1.251 . . . . 0.0 112.924 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -18.18 54.15 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -66.17 -18.18 65.18 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.977 -1.702 . . . . 0.0 115.302 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.06 -20.47 6.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.567 0 O-C-N 120.515 -1.365 . . . . 0.0 112.301 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.6 t -93.15 86.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.398 -1.439 . . . . 0.0 109.684 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -92.1 104.66 17.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.552 -1.343 . . . . 0.0 112.643 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -97.2 145.9 25.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.95 -1.094 . . . . 0.0 113.041 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -142.3 142.11 32.49 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.096 -1.002 . . . . 0.0 110.907 171.531 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.89 132.09 56.75 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.527 1.931 . . . . 0.0 106.495 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t0 57.3 27.65 14.04 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.41 1.576 . . . . 0.0 112.835 -177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.1 16.98 67.39 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 119.938 -1.726 . . . . 0.0 115.624 -170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -129.8 161.15 61.21 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 109.935 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.85 160.35 37.43 Favored 'Trans proline' 0 C--N 1.331 -0.368 0 CA-C-N 122.483 1.923 . . . . 0.0 112.432 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.2 tt -140.6 164.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -128.77 178.6 6.23 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.054 -1.654 . . . . 0.0 110.071 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.63 -20.02 47.78 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.425 -1.422 . . . . 0.0 114.62 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -78.23 -34.0 49.48 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.739 0.816 . . . . 0.0 112.533 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.63 101.92 1.75 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.756 1.623 . . . . 0.0 112.046 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -76.96 149.03 79.68 Favored Pre-proline 0 C--N 1.345 0.394 0 O-C-N 119.329 -2.107 . . . . 0.0 110.579 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -73.13 -11.2 25.07 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 CA-C-N 122.694 1.998 . . . . 0.0 111.666 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -80.37 -7.64 59.18 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -85.84 -27.57 25.01 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.354 -1.466 . . . . 0.0 110.539 164.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -84.91 -48.18 9.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.1 -1.0 . . . . 0.0 112.54 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.277 81.7 mt-10 53.59 69.14 0.74 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -99.13 8.23 45.09 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.173 -0.954 . . . . 0.0 110.163 163.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.278 26.1 tp10 63.55 -99.9 0.08 Allowed 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.175 1.79 . . . . 0.0 110.585 -162.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -135.37 175.31 9.7 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.974 1.261 . . . . 0.0 113.494 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.41 73.3 1.22 Allowed Glycine 0 C--N 1.351 1.416 0 C-N-CA 123.874 0.75 . . . . 0.0 112.185 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -78.62 151.13 32.49 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.754 -0.851 . . . . 0.0 109.5 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -134.44 32.95 3.32 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.613 1.965 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -52.68 131.83 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.039 2.136 . . . . 0.0 115.139 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -94.39 155.67 16.86 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 119.888 -1.757 . . . . 0.0 111.778 -177.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -121.1 109.81 26.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-O 122.291 1.043 . . . . 0.0 109.636 167.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.85 80.42 7.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.279 -1.513 . . . . 0.0 109.643 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -57.97 162.09 3.56 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.151 1.78 . . . . 0.0 114.827 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.06 -55.31 14.89 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.891 -1.756 . . . . 0.0 113.368 173.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.71 -143.17 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -69.72 119.25 13.67 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.746 2.066 . . . . 0.0 113.638 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.71 105.85 0.19 Allowed Glycine 0 C--N 1.351 1.38 0 O-C-N 120.476 -1.39 . . . . 0.0 112.655 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.469 0 O-C-N 121.037 -1.272 . . . . 0.0 111.119 177.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -112.28 54.81 0.7 Allowed 'General case' 0 C--N 1.352 0.704 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -118.42 -46.29 2.59 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 113.178 -158.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 70.74 -39.03 0.44 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 126.022 1.729 . . . . 0.0 114.725 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -45.69 -16.28 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 131.034 3.734 . . . . 0.0 120.912 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 128.36 41.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.621 -1.924 . . . . 0.0 112.149 -175.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.53 146.34 4.57 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 120.415 -1.428 . . . . 0.0 112.483 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.91 -90.41 0.46 Allowed Glycine 0 C--N 1.343 0.924 0 O-C-N 121.833 -0.804 . . . . 0.0 111.321 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.263 45.7 mt-10 66.56 -101.87 0.07 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 126.791 2.036 . . . . 0.0 116.037 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.393 41.3 p 80.64 -136.98 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.355 2.662 . . . . 0.0 111.428 -166.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -75.62 86.01 2.68 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 119.56 -1.962 . . . . 0.0 115.163 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -102.55 158.91 15.89 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.797 1.239 . . . . 0.0 112.32 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -136.66 175.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 124.054 0.942 . . . . 0.0 111.447 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -128.78 117.17 20.64 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.516 1.526 . . . . 0.0 110.151 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.59 142.72 27.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.628 0.728 . . . . 0.0 110.502 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -101.24 107.39 18.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.248 1.419 . . . . 0.0 109.821 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -97.7 99.56 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.765 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.45 101.78 13.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.572 1.149 . . . . 0.0 111.854 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.88 136.33 14.75 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 119.545 -1.972 . . . . 0.0 114.085 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.15 -32.16 73.44 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.48 -1.6 . . . . 0.0 112.51 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.91 49.62 1.09 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.003 1.721 . . . . 0.0 111.694 173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m120 66.84 -50.97 0.46 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.147 2.579 . . . . 0.0 117.68 175.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.95 118.42 12.77 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -95.62 128.85 46.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.875 -1.141 . . . . 0.0 110.367 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 t -120.83 158.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 125.024 1.33 . . . . 0.0 108.847 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.57 140.7 52.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.335 -2.103 . . . . 0.0 111.324 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -122.17 147.31 46.33 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.078 -1.014 . . . . 0.0 110.418 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -113.27 139.09 49.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.45 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' H ' ' A' ' 30' ' ' LYS . 5.8 tt -145.06 -179.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' H ' HG12 ' A' ' 29' ' ' ILE . 32.4 mtpt -98.17 159.74 14.74 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.803 -1.81 . . . . 0.0 110.629 170.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -74.05 -44.07 55.56 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -80.69 -2.91 48.7 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 120.569 -1.332 . . . . 0.0 114.111 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -88.13 131.23 43.38 Favored Pre-proline 0 C--N 1.352 0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.779 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.04 157.58 50.73 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.202 1.935 . . . . 0.0 111.814 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.95 -27.05 43.55 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -163.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -51.25 -38.18 51.24 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.725 1.61 . . . . 0.0 115.004 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -45.81 89.87 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.463 1.505 . . . . 0.0 113.182 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.86 -49.13 49.39 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.267 1.427 . . . . 0.0 111.483 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 87.2 mtp -51.9 -52.98 46.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.743 1.617 . . . . 0.0 112.886 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -65.34 -49.66 68.58 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.262 -0.899 . . . . 0.0 111.645 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.3 -41.94 66.14 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.48 -44.46 74.73 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.771 -1.205 . . . . 0.0 112.275 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.78 -43.81 98.12 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.767 -1.208 . . . . 0.0 113.208 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -53.19 57.82 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.419 2.287 . . . . 0.0 113.408 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -76.13 -19.75 58.23 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.002 -1.061 . . . . 0.0 113.085 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.22 -41.77 27.52 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.216 -1.552 . . . . 0.0 112.354 164.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 33.82 11.34 Favored Glycine 0 C--N 1.345 1.075 0 C-N-CA 126.011 1.767 . . . . 0.0 111.404 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.0 152.07 23.82 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 123.001 1.382 . . . . 0.0 113.051 -173.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -78.62 128.96 34.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 120.926 -1.109 . . . . 0.0 111.79 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.83 -33.54 71.9 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.829 -1.169 . . . . 0.0 112.577 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -44.36 -40.03 5.05 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.207 2.203 . . . . 0.0 116.859 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.65 5.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 O-C-N 120.68 -1.263 . . . . 0.0 112.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.9 88.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.09 0.956 . . . . 0.0 110.011 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -92.36 157.78 16.43 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.311 -2.118 . . . . 0.0 110.861 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -147.98 154.51 40.4 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.636 -1.29 . . . . 0.0 111.993 -172.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 154.13 49.12 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 168.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -117.53 123.99 47.62 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.64 25.52 6.47 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.08 -20.9 47.0 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 119.53 -1.982 . . . . 0.0 115.357 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -119.0 160.53 40.5 Favored Pre-proline 0 C--N 1.347 0.463 0 CA-C-N 119.628 1.714 . . . . 0.0 112.044 -172.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.65 163.69 36.72 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-N 122.948 2.088 . . . . 0.0 112.104 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -143.86 155.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.39 160.43 14.29 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.469 -1.394 . . . . 0.0 109.374 171.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.53 -14.59 61.24 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 119.555 -1.966 . . . . 0.0 112.752 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -84.11 -8.16 59.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.531 1.932 . . . . 0.0 112.178 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -78.83 105.6 10.26 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.265 -1.522 . . . . 0.0 110.018 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.5 p -100.35 151.45 37.55 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 120.511 -1.368 . . . . 0.0 112.906 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 -7.37 18.17 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.216 1.944 . . . . 0.0 112.409 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -82.54 -41.08 20.1 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 110.89 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m -76.4 -28.56 56.75 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.66 -1.275 . . . . 0.0 112.739 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.29 -38.85 75.09 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.303 -1.498 . . . . 0.0 113.006 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.346 16.1 mt-10 67.61 19.06 9.9 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 61.5 tpp -63.93 138.48 58.49 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.734 1.213 . . . . 0.0 108.809 159.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.29 -69.97 0.47 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.149 -1.594 . . . . 0.0 111.836 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.87 165.73 35.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.75 32.41 1.58 Allowed Glycine 0 C--N 1.345 1.055 0 C-N-CA 124.197 0.904 . . . . 0.0 111.017 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.19 115.54 16.01 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.119 2.168 . . . . 0.0 112.612 -166.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 p -91.56 103.21 15.83 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.592 1.557 . . . . 0.0 114.842 -166.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 tt -118.4 126.41 75.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 O-C-N 120.441 -1.412 . . . . 0.0 111.116 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -90.39 146.84 23.85 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.741 -1.849 . . . . 0.0 111.075 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.1 t -117.94 114.65 45.97 Favored 'Isoleucine or valine' 0 C--N 1.345 0.372 0 CA-C-O 123.008 1.385 . . . . 0.0 110.592 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 100.09 11.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.425 1.49 . . . . 0.0 108.989 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.23 127.91 34.24 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.485 -1.384 . . . . 0.0 112.153 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -92.46 -42.86 9.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 112.154 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.84 119.4 21.98 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.332 -1.48 . . . . 0.0 113.638 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -82.91 83.35 7.82 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.979 1.371 . . . . 0.0 112.697 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.71 133.77 1.6 Allowed Glycine 0 C--N 1.344 0.993 0 O-C-N 120.344 -1.473 . . . . 0.0 111.194 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.561 0 O-C-N 121.426 -1.043 . . . . 0.0 111.89 -178.096 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 mtt . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -75.35 73.36 2.42 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.418 1.087 . . . . 0.0 112.511 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -168.05 -140.41 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -136.52 106.41 6.26 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.208 -1.558 . . . . 0.0 106.867 154.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt 40.41 83.22 0.02 OUTLIER 'General case' 0 C--N 1.352 0.713 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.06 96.62 4.47 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.771 -1.831 . . . . 0.0 114.193 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.81 96.4 0.17 Allowed Glycine 0 C--N 1.347 1.17 0 O-C-N 121.024 -1.048 . . . . 0.0 111.367 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.54 -104.84 0.24 Allowed Glycine 0 C--N 1.344 1.005 0 O-C-N 121.504 -0.998 . . . . 0.0 112.277 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -75.42 94.26 3.06 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-O 122.713 1.245 . . . . 0.0 112.308 -170.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 m -98.69 -19.63 17.41 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.226 1.41 . . . . 0.0 111.108 -160.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -65.81 67.95 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 0 C-N-CA 129.383 3.073 . . . . 0.0 115.358 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -91.06 133.64 35.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.173 1.389 . . . . 0.0 110.342 169.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.4 137.51 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -87.74 136.37 32.98 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.415 1.086 . . . . 0.0 111.952 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 153.24 50.69 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.814 0.845 . . . . 0.0 109.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -125.76 138.93 53.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.065 -1.022 . . . . 0.0 111.758 174.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.01 112.2 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 124.184 0.993 . . . . 0.0 108.718 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.5 88.91 6.08 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.2 1.0 . . . . 0.0 110.018 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.67 120.44 5.28 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 121.121 -0.987 . . . . 0.0 111.893 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -8.1 44.88 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.18 17.66 0.34 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.018 1.727 . . . . 0.0 111.857 167.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 76.87 -20.43 0.37 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.909 2.484 . . . . 0.0 114.13 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.56 67.4 0.76 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.664 1.586 . . . . 0.0 114.772 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.81 134.55 27.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 125.589 1.556 . . . . 0.0 110.37 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.08 151.38 19.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 123.914 0.886 . . . . 0.0 111.184 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.87 141.02 52.4 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.376 -1.453 . . . . 0.0 110.784 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -154.74 178.56 10.0 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.066 -1.021 . . . . 0.0 110.342 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -140.72 152.3 45.18 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.121 -1.612 . . . . 0.0 114.629 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.15 159.62 42.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 C-N-CA 125.543 1.537 . . . . 0.0 108.338 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -75.42 144.36 42.23 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.948 -2.345 . . . . 0.0 111.334 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -80.48 1.87 27.59 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.933 -1.73 . . . . 0.0 115.419 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -87.39 -31.63 19.99 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.084 -1.635 . . . . 0.0 112.542 170.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 p -82.34 149.8 62.49 Favored Pre-proline 0 C--N 1.345 0.396 0 O-C-N 120.691 -1.255 . . . . 0.0 113.279 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -74.58 169.16 23.16 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.482 2.121 . . . . 0.0 112.176 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.81 -32.87 65.83 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.535 -0.728 . . . . 0.0 112.962 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -47.71 -41.18 22.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.739 -1.225 . . . . 0.0 112.938 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.9 -49.85 41.31 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.482 -2.011 . . . . 0.0 110.557 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.5 mmm -50.48 -57.92 6.94 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -80.39 -5.7 56.87 Favored 'General case' 0 C--N 1.345 0.373 0 O-C-N 120.256 -1.527 . . . . 0.0 113.291 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.07 16.66 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 119.945 -1.722 . . . . 0.0 110.346 164.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -55.59 32.01 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.742 1.217 . . . . 0.0 112.535 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.5 m -58.51 -54.8 42.91 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -70.33 -28.74 65.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.446 -1.409 . . . . 0.0 113.633 -174.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.67 -47.12 73.48 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.212 -1.555 . . . . 0.0 112.808 169.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -50.86 64.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.971 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.97 -28.44 4.61 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 121.416 -0.803 . . . . 0.0 111.682 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.26 169.63 17.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.935 1.294 . . . . 0.0 113.12 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 p -153.8 -171.84 4.02 Favored 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 119.626 -1.921 . . . . 0.0 110.347 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -72.92 -10.16 59.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 112.292 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.45 -25.89 65.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.167 -1.583 . . . . 0.0 112.662 168.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.87 -30.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 123.979 0.912 . . . . 0.0 113.304 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.93 135.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.316 -1.49 . . . . 0.0 109.793 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 90.51 3.35 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.704 -1.872 . . . . 0.0 110.59 -169.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -82.87 133.06 35.14 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.103 -0.998 . . . . 0.0 112.413 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 149.47 43.83 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.093 -1.629 . . . . 0.0 107.92 162.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -119.0 108.46 14.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.8 t0 52.84 48.13 23.14 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 123.148 1.451 . . . . 0.0 112.442 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.0 -31.74 3.35 Favored Glycine 0 C--N 1.354 1.55 0 O-C-N 120.317 -1.489 . . . . 0.0 115.592 -171.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -96.33 156.77 36.51 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 120.494 -1.592 . . . . 0.0 114.437 -163.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 110.42 3.02 Favored 'Trans proline' 0 C--N 1.331 -0.379 0 C-N-CA 122.812 2.341 . . . . 0.0 113.026 170.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.62 137.9 20.25 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 O-C-N 120.762 -1.211 . . . . 0.0 111.972 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -87.65 118.87 27.44 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.026 -1.671 . . . . 0.0 111.86 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.71 -15.99 59.92 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -69.38 -23.03 63.68 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.252 -1.53 . . . . 0.0 113.614 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -74.73 167.47 21.74 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 122.593 1.187 . . . . 0.0 113.717 -171.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -118.23 148.12 43.06 Favored Pre-proline 0 C--N 1.343 0.295 0 O-C-N 120.909 -1.119 . . . . 0.0 110.894 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.27 -5.17 16.55 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 CA-C-N 121.299 1.5 . . . . 0.0 112.715 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -81.36 -21.17 39.3 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 120.322 1.419 . . . . 0.0 111.622 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 m -83.08 -41.99 17.95 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.531 1.158 . . . . 0.0 109.559 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.2 mt -73.94 -53.67 9.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.303 1.441 . . . . 0.0 112.913 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.341 51.2 mt-10 77.29 68.37 0.05 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.998 2.119 . . . . 0.0 114.747 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -112.49 176.7 4.91 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.031 1.332 . . . . 0.0 109.594 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -99.86 -110.95 0.19 Allowed 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.939 1.296 . . . . 0.0 112.864 -169.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -144.07 159.55 42.43 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 120.306 -1.496 . . . . 0.0 107.6 165.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.29 38.06 8.62 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -89.06 160.64 16.97 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.867 0.841 . . . . 0.0 110.511 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 p -135.98 131.91 35.66 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 120.544 -1.347 . . . . 0.0 112.615 -160.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.0 tt -130.07 135.25 61.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 120.32 -1.488 . . . . 0.0 108.992 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -101.53 133.11 46.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.355 -1.466 . . . . 0.0 109.896 -174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.56 124.81 67.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.49 -1.382 . . . . 0.0 112.479 -170.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -104.63 163.31 12.57 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.79 1.236 . . . . 0.0 110.234 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.36 174.81 5.72 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.697 -1.252 . . . . 0.0 114.258 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 -82.07 0.12 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 161.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -87.39 148.59 24.94 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.796 1.238 . . . . 0.0 110.587 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -95.56 162.19 13.74 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.905 -1.122 . . . . 0.0 110.058 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 172.43 70.59 0.04 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 120.202 -1.561 . . . . 0.0 111.686 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.736 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 57.32 62.66 2.11 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.961 1.304 . . . . 0.0 112.87 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -166.65 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.631 -0.668 . . . . 0.0 109.296 -148.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.34 9.8 tt0 106.73 118.37 0.01 OUTLIER 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.211 3.404 . . . . 0.0 113.688 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.18 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.229 1.811 . . . . 0.0 109.489 164.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 170.79 11.44 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 122.617 1.199 . . . . 0.0 114.02 -175.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.34 -107.12 0.5 Allowed Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.14 -174.55 54.93 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 78.27 -69.07 0.14 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.109 2.163 . . . . 0.0 112.781 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 p -136.58 176.34 8.79 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.014 1.326 . . . . 0.0 110.122 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.01 117.67 21.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 119.968 -1.708 . . . . 0.0 112.279 -172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 149.17 40.83 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.581 -1.324 . . . . 0.0 113.154 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.79 154.2 39.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.742 1.217 . . . . 0.0 110.004 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -92.95 155.62 17.44 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.782 -1.198 . . . . 0.0 114.082 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -132.08 143.34 49.95 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 163.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -116.78 122.6 44.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 t -109.87 121.82 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 124.618 1.167 . . . . 0.0 110.083 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.0 111.55 19.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.083 -1.01 . . . . 0.0 113.155 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.09 166.07 51.33 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 120.161 -1.587 . . . . 0.0 113.98 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -6.2 47.38 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 120.872 -1.369 . . . . 0.0 114.192 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -85.4 -63.75 1.27 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.905 1.282 . . . . 0.0 111.034 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' H ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -172.15 -5.92 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.468 2.307 . . . . 0.0 110.741 167.305 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 22' ' ' ASN . . . -78.13 117.24 19.23 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 119.765 -1.835 . . . . 0.0 115.361 -167.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.11 121.43 63.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.74 -1.225 . . . . 0.0 109.388 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.17 144.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 125.778 1.631 . . . . 0.0 108.37 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -135.97 141.36 44.42 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 119.598 -1.939 . . . . 0.0 108.992 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -155.6 170.79 21.19 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.236 -0.915 . . . . 0.0 110.817 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -124.22 145.77 49.14 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 121.833 0.825 . . . . 0.0 112.049 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.73 153.63 31.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 125.437 1.495 . . . . 0.0 108.668 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -74.06 142.63 45.66 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.147 -1.596 . . . . 0.0 109.847 166.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.32 -18.74 61.75 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.766 -1.834 . . . . 0.0 114.681 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -84.33 -11.14 56.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 120.516 -1.365 . . . . 0.0 114.321 -169.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -111.11 154.79 43.37 Favored Pre-proline 0 C--N 1.347 0.485 0 O-C-N 120.476 -1.39 . . . . 0.0 110.994 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.44 165.35 23.18 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 CA-C-N 121.563 1.594 . . . . 0.0 112.682 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -33.07 72.25 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -39.56 20.33 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.774 1.63 . . . . 0.0 114.284 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -50.74 72.6 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.334 1.054 . . . . 0.0 112.48 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.37 -46.89 63.18 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.507 -1.371 . . . . 0.0 112.033 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.6 mmt -54.68 -50.78 67.43 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.13 82.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.675 -1.266 . . . . 0.0 112.199 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.95 96.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.614 -1.304 . . . . 0.0 113.05 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -43.12 88.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.8 -1.187 . . . . 0.0 112.365 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -55.31 -58.54 7.31 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.131 0.972 . . . . 0.0 113.131 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -73.68 -17.07 61.18 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -76.89 -47.72 20.37 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.079 -1.638 . . . . 0.0 111.194 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.98 70.91 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.812 -1.18 . . . . 0.0 113.303 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 16.68 12.71 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 125.895 1.712 . . . . 0.0 112.386 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.08 -179.9 4.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 120.562 -1.552 . . . . 0.0 111.638 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.54 -179.29 7.45 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 119.506 -1.996 . . . . 0.0 108.992 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 ttm -77.11 -5.85 50.57 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.662 -1.273 . . . . 0.0 113.002 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -62.62 -31.19 71.98 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.558 -1.964 . . . . 0.0 113.991 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.43 -57.16 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.107 0.563 . . . . 0.0 110.756 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.48 113.48 24.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.404 -1.435 . . . . 0.0 112.076 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.62 128.83 56.17 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.763 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 146.88 27.8 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.225 1.01 . . . . 0.0 112.365 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -134.24 139.99 46.15 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 110.673 163.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -104.75 114.67 29.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.471 1.908 . . . . 0.0 107.532 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.75 -23.64 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.57 -29.73 0.25 Allowed Glycine 0 C--N 1.343 0.971 0 C-N-CA 126.639 2.066 . . . . 0.0 111.45 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -106.2 164.17 15.5 Favored Pre-proline 0 C--N 1.347 0.461 0 O-C-N 121.069 -1.254 . . . . 0.0 112.279 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.72 154.04 48.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.755 1.636 . . . . 0.0 111.752 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -125.69 166.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 125.284 1.434 . . . . 0.0 107.436 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -113.53 169.22 9.13 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.387 -1.446 . . . . 0.0 111.902 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.52 -24.07 16.25 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.553 1.941 . . . . 0.0 112.558 -170.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -70.74 -20.25 62.66 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.807 -1.183 . . . . 0.0 113.248 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -68.16 135.72 52.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.973 1.368 . . . . 0.0 113.41 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -94.87 133.96 25.67 Favored Pre-proline 0 C--N 1.343 0.314 0 C-N-CA 125.617 1.567 . . . . 0.0 109.927 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.72 -13.26 24.53 Favored 'Trans proline' 0 CA--C 1.52 -0.213 0 CA-C-N 122.943 2.087 . . . . 0.0 112.212 -171.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -65.59 -25.48 67.43 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 126.609 1.964 . . . . 0.0 112.95 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -79.38 -28.22 41.91 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.806 1.642 . . . . 0.0 112.667 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -89.03 -31.25 18.16 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -169.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.84 60.03 0.55 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.877 1.671 . . . . 0.0 112.325 -171.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.9 ptm -104.93 147.86 27.31 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.018 -1.051 . . . . 0.0 111.707 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.9 171.85 13.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 123.661 1.696 . . . . 0.0 111.486 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.97 134.1 46.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 123.315 1.531 . . . . 0.0 112.825 170.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.95 48.5 3.12 Favored Glycine 0 CA--C 1.498 -0.997 0 O-C-N 119.972 -1.705 . . . . 0.0 113.755 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -68.53 159.99 30.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.945 0.872 . . . . 0.0 112.233 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -114.88 82.7 1.78 Allowed 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.53 1.532 . . . . 0.0 110.491 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.06 132.19 42.14 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 122.552 1.168 . . . . 0.0 110.503 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.61 145.43 25.75 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 119.11 -2.244 . . . . 0.0 112.583 -173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.59 131.16 71.14 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 124.821 1.248 . . . . 0.0 111.659 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.86 145.18 37.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.587 167.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.23 -141.71 0.36 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.039 0.935 . . . . 0.0 111.87 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -111.04 -175.06 2.61 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.004 -1.685 . . . . 0.0 110.471 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.34 118.07 25.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.817 -1.177 . . . . 0.0 112.55 -171.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.2 p -81.97 81.15 8.05 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.856 -1.777 . . . . 0.0 112.574 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.39 53.79 0.32 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 119.985 -1.697 . . . . 0.0 113.512 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.743 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 175.922 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.49 -0.29 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p 161.65 -125.34 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.421 1.888 . . . . 0.0 106.338 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.33 29.67 0.01 OUTLIER 'General case' 0 C--N 1.349 0.587 0 C-N-CA 130.646 3.578 . . . . 0.0 117.586 -162.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 84.59 57.99 0.01 OUTLIER 'General case' 0 C--N 1.349 0.585 0 C-N-CA 129.337 3.055 . . . . 0.0 112.598 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.02 114.41 3.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.235 -1.54 . . . . 0.0 111.357 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.34 177.1 1.0 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 128.021 2.528 . . . . 0.0 105.893 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.92 -151.45 20.81 Favored Glycine 0 C--N 1.35 1.315 0 CA-C-N 119.239 0.927 . . . . 0.0 113.179 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 41.99 68.05 0.76 Allowed Glycine 0 C--N 1.354 1.568 0 C-N-CA 127.029 2.252 . . . . 0.0 117.905 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -112.66 137.55 50.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.351 1.06 . . . . 0.0 113.706 -171.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -156.02 -49.65 0.08 Allowed 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.388 -1.445 . . . . 0.0 111.424 170.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -151.82 131.0 12.72 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.687 -1.258 . . . . 0.0 110.859 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -137.43 160.66 38.47 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.997 -1.69 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 pt -110.04 149.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.949 -1.094 . . . . 0.0 109.518 173.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -119.88 134.16 55.33 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.79 159.28 29.86 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.666 1.186 . . . . 0.0 111.529 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -128.91 97.32 4.61 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 124.366 1.066 . . . . 0.0 111.611 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.72 100.05 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.671 -1.268 . . . . 0.0 109.528 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.3 95.8 8.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.083 0.953 . . . . 0.0 110.925 -173.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.5 134.01 13.55 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 120.579 -1.326 . . . . 0.0 114.526 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -60.79 -26.24 67.13 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.713 -1.463 . . . . 0.0 113.37 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.1 -9.74 42.77 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.224 -1.547 . . . . 0.0 113.058 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 95.45 2.05 0.04 OUTLIER 'General case' 0 C--N 1.355 0.839 0 C-N-CA 130.226 3.411 . . . . 0.0 112.58 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.75 107.84 18.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.358 -1.464 . . . . 0.0 110.839 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.71 130.52 54.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 124.857 1.263 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.64 144.86 36.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.773 -1.205 . . . . 0.0 112.817 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -93.87 121.55 35.45 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.503 -1.373 . . . . 0.0 112.562 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -106.27 168.65 9.0 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 110.255 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -150.33 141.17 22.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.547 -1.346 . . . . 0.0 109.517 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 tt -140.93 159.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -75.22 145.63 41.84 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.586 -1.946 . . . . 0.0 110.083 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -68.56 -27.06 65.74 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.427 -2.046 . . . . 0.0 113.219 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.39 -21.76 61.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 119.777 -1.827 . . . . 0.0 114.639 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -104.27 141.17 21.97 Favored Pre-proline 0 C--N 1.349 0.558 0 C-N-CA 124.316 1.046 . . . . 0.0 113.192 -166.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.32 161.18 38.2 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 123.081 2.521 . . . . 0.0 113.834 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.86 -45.08 37.54 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.172 1.389 . . . . 0.0 114.133 -167.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.7 -53.05 0.43 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 128.914 2.886 . . . . 0.0 117.861 -174.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -39.5 92.58 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.261 -1.524 . . . . 0.0 113.743 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.2 -43.52 81.9 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.976 -1.077 . . . . 0.0 111.392 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.97 -52.98 62.25 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 112.831 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.55 93.29 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.965 -1.085 . . . . 0.0 112.561 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.03 95.44 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.542 -1.349 . . . . 0.0 113.956 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.2 -41.76 99.2 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.126 -1.609 . . . . 0.0 113.203 171.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.5 -49.79 73.68 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.557 1.071 . . . . 0.0 113.71 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.99 -53.72 52.07 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.129 1.372 . . . . 0.0 113.557 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -69.06 -45.29 70.75 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.84 -1.163 . . . . 0.0 113.654 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -24.4 62.01 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.355 -0.84 . . . . 0.0 113.136 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.02 37.1 11.78 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 121.194 -0.941 . . . . 0.0 112.4 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -120.82 163.31 18.35 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.836 0.854 . . . . 0.0 110.145 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -120.26 148.49 43.63 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.451 -1.405 . . . . 0.0 112.043 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -14.07 62.39 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -174.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -49.38 -58.88 4.32 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.03 -1.669 . . . . 0.0 113.534 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.6 -11.73 10.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.832 1.253 . . . . 0.0 113.401 -170.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -105.49 103.61 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.038 -1.039 . . . . 0.0 110.406 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -87.25 114.54 23.94 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.331 -1.481 . . . . 0.0 110.691 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -97.66 137.5 36.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.007 0.923 . . . . 0.0 109.302 169.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -141.75 140.24 33.05 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.184 -0.947 . . . . 0.0 110.073 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -128.01 140.68 51.83 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t0 54.2 33.03 17.16 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.182 1.468 . . . . 0.0 112.331 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.06 -24.71 6.61 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.384 1.469 . . . . 0.0 114.785 -171.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -117.15 171.4 4.93 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 125.846 1.659 . . . . 0.0 114.068 -155.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -71.11 114.97 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.753 2.302 . . . . 0.0 113.424 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -87.57 153.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 C-N-CA 125.345 1.458 . . . . 0.0 111.035 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.88 137.18 34.29 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.95 -1.719 . . . . 0.0 112.167 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.77 -4.48 46.58 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -174.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -116.9 12.17 14.63 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 120.586 -1.322 . . . . 0.0 114.391 -158.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.94 -152.66 0.21 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.524 -1.36 . . . . 0.0 110.131 170.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.98 140.07 13.47 Favored Pre-proline 0 C--N 1.346 0.433 0 O-C-N 119.562 -1.961 . . . . 0.0 108.949 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.43 -25.64 55.84 Favored 'Trans proline' 0 CA--C 1.516 -0.376 0 CA-C-N 123.872 2.418 . . . . 0.0 113.789 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -77.77 -9.07 58.82 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.929 -1.107 . . . . 0.0 112.988 171.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -83.01 -44.77 14.85 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.354 -1.466 . . . . 0.0 109.794 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.45 -31.36 62.23 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.254 -0.904 . . . . 0.0 112.361 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.313 34.8 mt-10 82.85 -50.11 0.17 Allowed 'General case' 0 C--N 1.351 0.633 0 C-N-CA 128.467 2.707 . . . . 0.0 112.289 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.7 ttp -110.62 104.62 13.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 121.655 -0.653 . . . . 0.0 109.54 168.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -133.17 -15.23 2.57 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 123.108 1.432 . . . . 0.0 110.215 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.6 135.34 57.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.286 -2.134 . . . . 0.0 115.238 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.32 46.95 3.66 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 121.016 -1.052 . . . . 0.0 111.262 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 167.5 12.46 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.79 1.236 . . . . 0.0 112.594 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -148.0 58.69 1.11 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.831 1.652 . . . . 0.0 109.035 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.4 tt -77.34 120.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.7 -1.875 . . . . 0.0 113.338 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.82 133.81 33.81 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 119.455 -2.028 . . . . 0.0 110.849 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.29 124.93 71.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-O 122.786 1.279 . . . . 0.0 111.228 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -95.49 154.25 17.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 119.847 -1.783 . . . . 0.0 110.958 171.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -110.78 116.12 30.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.142 1.377 . . . . 0.0 107.867 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -151.45 101.16 2.79 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.722 1.249 . . . . 0.0 111.473 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.49 140.36 29.6 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.176 -1.578 . . . . 0.0 112.224 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.6 m 66.98 69.64 0.39 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-O 123.321 1.534 . . . . 0.0 111.458 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.37 -158.52 31.46 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -170.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.734 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.03 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.503 2.205 0 N-CA-C 118.735 2.865 . . . . 0.0 118.735 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -72.77 -61.88 1.65 Allowed 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.244 -1.535 . . . . 0.0 110.859 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.27 -104.54 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.556 1.142 . . . . 0.0 109.741 166.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 12.3 tt0 -90.44 178.84 6.01 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.136 -1.602 . . . . 0.0 112.843 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' ' HG2' ' A' ' 4' ' ' GLU 0.302 4.0 mppt? 51.79 94.59 0.02 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 128.492 2.717 . . . . 0.0 115.207 -171.188 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -92.28 -117.96 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.332 1.453 . . . . 0.0 110.884 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.13 -69.4 0.17 Allowed Glycine 0 C--N 1.347 1.15 0 O-C-N 119.302 -2.123 . . . . 0.0 112.567 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.6 83.41 0.88 Allowed Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.673 0.654 . . . . 0.0 112.331 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.39 114.73 10.83 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.62 -166.58 0.68 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 103.12 -2.918 . . . . 0.0 103.12 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -54.05 130.71 38.86 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -165.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -157.24 148.86 22.23 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.712 -1.868 . . . . 0.0 111.594 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -101.07 148.78 6.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 120.738 -1.226 . . . . 0.0 111.851 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -93.26 135.73 34.19 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.036 -1.04 . . . . 0.0 110.173 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.35 132.62 55.36 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.545 -0.722 . . . . 0.0 109.246 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -107.46 121.37 44.48 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.549 1.139 . . . . 0.0 109.738 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.68 108.85 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 125.084 1.354 . . . . 0.0 109.01 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.0 112.98 25.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.86 -1.15 . . . . 0.0 110.175 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 124.93 8.32 Favored Glycine 0 C--N 1.347 1.163 0 O-C-N 120.555 -1.341 . . . . 0.0 111.347 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -67.48 -11.83 58.84 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.15 -1.206 . . . . 0.0 114.101 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -46.08 -23.19 0.29 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 127.668 2.387 . . . . 0.0 116.087 156.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 100.43 44.95 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 C-N-CA 130.238 3.415 . . . . 0.0 111.737 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.0 161.26 38.1 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.496 -1.378 . . . . 0.0 110.481 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.84 137.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.958 -1.089 . . . . 0.0 110.118 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.29 147.1 18.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -133.99 144.16 48.58 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.519 -1.988 . . . . 0.0 110.089 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -146.01 176.53 9.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.6 0.76 . . . . 0.0 109.031 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 137.63 37.24 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 121.078 -1.014 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 tt -123.51 146.01 29.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 121.158 -0.964 . . . . 0.0 111.604 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.11 149.44 41.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.216 1.406 . . . . 0.0 110.463 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.7 -39.08 93.04 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 119.785 -1.822 . . . . 0.0 115.054 -169.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -17.19 58.51 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.9 p -91.49 130.47 39.28 Favored Pre-proline 0 C--N 1.35 0.62 0 O-C-N 120.058 -1.651 . . . . 0.0 112.937 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.96 157.4 54.78 Favored 'Trans proline' 0 CA--C 1.519 -0.235 0 C-N-CA 122.504 2.136 . . . . 0.0 113.463 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.43 -38.61 81.35 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.369 1.068 . . . . 0.0 113.065 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -50.79 -38.35 47.87 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.298 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -58.86 -46.04 88.69 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.771 -1.206 . . . . 0.0 113.643 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.76 -48.36 38.98 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.709 -1.245 . . . . 0.0 111.186 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -57.98 -44.88 87.38 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.864 -1.148 . . . . 0.0 113.645 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.65 -44.79 89.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.869 1.267 . . . . 0.0 111.609 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.58 78.89 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.022 -1.049 . . . . 0.0 112.796 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.6 -50.3 65.61 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.454 1.102 . . . . 0.0 112.975 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -56.57 -51.16 69.67 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.665 -1.272 . . . . 0.0 114.054 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -67.6 -40.37 84.78 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.24 1.016 . . . . 0.0 111.98 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -67.9 -38.5 83.05 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.886 -1.759 . . . . 0.0 113.666 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.57 85.13 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.296 -1.502 . . . . 0.0 111.512 171.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.14 48.38 1.24 Allowed Glycine 0 CA--C 1.497 -1.075 0 C-N-CA 124.54 1.067 . . . . 0.0 110.934 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -137.11 161.98 34.65 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.418 -1.048 . . . . 0.0 110.21 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 m -105.85 163.06 13.02 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.09 -14.71 61.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.986 -1.696 . . . . 0.0 111.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -54.25 -50.92 66.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 127.341 2.256 . . . . 0.0 115.021 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -86.66 -11.78 11.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.05 -1.032 . . . . 0.0 113.564 -169.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.05 130.43 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.498 1.119 . . . . 0.0 109.209 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -114.19 149.44 35.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.869 -1.769 . . . . 0.0 108.114 170.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.74 153.77 30.41 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -144.82 153.59 41.79 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.083 0.953 . . . . 0.0 109.681 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -133.4 127.43 33.41 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.022 1.329 . . . . 0.0 108.194 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.45 29.53 5.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.52 -35.7 4.88 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 120.049 -1.657 . . . . 0.0 113.427 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -94.17 162.34 26.8 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 125.251 1.42 . . . . 0.0 112.731 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.35 159.25 53.61 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 CA-C-N 122.435 1.905 . . . . 0.0 110.389 157.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 tp -132.71 147.89 31.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 121.565 -0.71 . . . . 0.0 109.432 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.41 147.0 23.98 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.507 -1.37 . . . . 0.0 110.213 171.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 4.75 51.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.816 1.647 . . . . 0.0 112.294 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -77.45 -57.88 3.58 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.772 -1.205 . . . . 0.0 112.426 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 136.3 57.74 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.7 161.79 54.95 Favored Pre-proline 0 C--N 1.346 0.425 0 C-N-CA 125.602 1.561 . . . . 0.0 112.649 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.27 -9.2 22.95 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 121.786 1.658 . . . . 0.0 112.052 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -62.59 -35.36 79.29 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 125.548 1.539 . . . . 0.0 111.993 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 m -86.01 -38.51 17.81 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.948 1.299 . . . . 0.0 112.259 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.56 -36.58 65.64 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 76.82 -5.81 2.12 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.852 2.168 . . . . 0.0 116.852 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.38 169.37 9.07 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -86.97 155.71 20.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.159 1.457 . . . . 0.0 113.813 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.59 57.23 1.56 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.318 -2.114 . . . . 0.0 115.614 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.79 41.69 0.09 OUTLIER Glycine 0 CA--C 1.497 -1.074 0 O-C-N 120.864 -1.148 . . . . 0.0 110.65 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.46 163.72 15.81 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 122.135 0.969 . . . . 0.0 113.393 -167.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -117.5 113.84 22.59 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.511 1.524 . . . . 0.0 112.635 -171.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -111.38 143.29 21.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.816 -1.178 . . . . 0.0 108.735 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -101.6 148.89 24.69 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.885 -1.76 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.35 134.67 65.87 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.508 1.523 . . . . 0.0 109.601 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.11 120.29 31.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 172.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -106.36 173.87 6.13 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.329 -1.482 . . . . 0.0 113.0 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -74.98 -10.91 59.92 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.344 1.458 . . . . 0.0 113.532 160.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -91.41 174.61 7.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.799 1.24 . . . . 0.0 111.585 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.0 p -129.18 59.81 1.57 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.873 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 -104.02 3.05 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 120.566 -1.334 . . . . 0.0 113.254 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.626 0 O-C-N 121.202 -1.175 . . . . 0.0 112.593 177.185 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.62 -56.4 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 121.235 -0.916 . . . . 0.0 111.873 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -160.81 169.81 21.96 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 -168.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -81.87 95.56 7.37 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 122.187 0.994 . . . . 0.0 111.222 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -160.66 36.06 0.16 Allowed 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.945 -1.097 . . . . 0.0 112.697 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.69 139.62 46.53 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.016 -1.678 . . . . 0.0 111.049 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.65 140.29 13.17 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.03 -176.81 39.25 Favored Glycine 0 CA--C 1.494 -1.222 0 N-CA-C 107.92 -2.072 . . . . 0.0 107.92 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 65.99 33.99 7.35 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 124.043 1.878 . . . . 0.0 113.221 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -76.23 159.05 31.01 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.165 1.386 . . . . 0.0 111.07 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 69.49 48.91 0.6 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-O 123.948 1.832 . . . . 0.0 113.964 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -96.73 134.87 39.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 120.116 -1.615 . . . . 0.0 111.747 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 pt -105.51 152.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 C-N-CA 124.297 1.039 . . . . 0.0 110.406 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.88 124.37 36.82 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.349 -0.844 . . . . 0.0 111.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.42 125.64 54.46 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -108.69 140.55 41.93 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.962 -1.086 . . . . 0.0 110.598 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.42 122.36 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 123.929 0.892 . . . . 0.0 108.969 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.55 98.18 7.6 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.39 -0.819 . . . . 0.0 110.511 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.93 137.73 19.76 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 120.065 -1.647 . . . . 0.0 114.749 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -67.57 -28.98 68.23 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.703 -1.469 . . . . 0.0 111.409 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.04 21.36 0.33 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 113.197 166.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 75.97 -8.14 1.68 Allowed 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.73 2.412 . . . . 0.0 115.858 166.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.06 30.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 120.963 -1.086 . . . . 0.0 112.914 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.36 124.01 70.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.99 161.91 39.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 121.152 -0.968 . . . . 0.0 108.959 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -149.79 130.95 14.48 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.517 -1.365 . . . . 0.0 113.064 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -124.82 162.76 23.62 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.468 1.107 . . . . 0.0 111.17 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -119.43 136.29 54.37 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.065 0.946 . . . . 0.0 109.543 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -139.16 151.37 23.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.85 -1.156 . . . . 0.0 109.085 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -66.34 128.47 36.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.193 -1.567 . . . . 0.0 109.96 167.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.7 -32.26 73.72 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.76 51.4 2.13 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 120.073 -1.642 . . . . 0.0 112.446 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.0 p -141.63 149.75 54.87 Favored Pre-proline 0 C--N 1.351 0.641 0 O-C-N 120.531 -1.356 . . . . 0.0 108.626 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.82 146.13 26.08 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 121.916 1.744 . . . . 0.0 112.536 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.11 -29.32 63.96 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.28 -0.888 . . . . 0.0 112.901 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.29 -26.93 61.64 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.931 -1.731 . . . . 0.0 113.8 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.17 -44.88 94.69 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.471 -1.393 . . . . 0.0 112.185 170.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.5 -47.92 74.34 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.057 0.943 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.0 mmt -52.68 -52.02 57.75 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.06 -48.04 83.59 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.331 1.052 . . . . 0.0 112.729 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.43 90.01 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.0 -1.687 . . . . 0.0 113.489 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.76 -48.91 67.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.643 -1.286 . . . . 0.0 112.615 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.34 -38.53 90.42 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.292 -1.505 . . . . 0.0 113.671 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -64.14 -23.13 67.2 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 173.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -44.08 9.33 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.361 -1.462 . . . . 0.0 112.161 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 119.85 -1.781 . . . . 0.0 114.394 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 60.59 1.63 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 121.365 -0.835 . . . . 0.0 111.684 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.34 175.24 10.94 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -104.1 138.03 41.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 120.77 -1.206 . . . . 0.0 111.07 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.22 -37.93 89.22 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.631 -1.293 . . . . 0.0 112.412 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -37.16 -44.26 0.55 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 129.579 3.152 . . . . 0.0 116.991 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.85 -4.23 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.961 -1.087 . . . . 0.0 113.654 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.7 t -109.34 81.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.734 -1.229 . . . . 0.0 109.109 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -90.76 99.93 12.87 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.486 -2.009 . . . . 0.0 114.65 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.58 143.8 46.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.486 1.915 . . . . 0.0 113.189 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -138.46 142.27 39.44 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.553 1.141 . . . . 0.0 108.128 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -111.87 125.65 54.25 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 61.05 25.72 15.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 123.887 1.803 . . . . 0.0 112.194 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.65 1.14 76.26 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.148 -1.595 . . . . 0.0 115.594 -170.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -113.54 155.46 44.79 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 119.701 1.751 . . . . 0.0 112.592 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.52 157.89 44.41 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.176 1.917 . . . . 0.0 110.821 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.97 157.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 O-C-N 121.057 -1.027 . . . . 0.0 109.532 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.95 127.44 32.87 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.558 -1.339 . . . . 0.0 110.605 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.82 -29.54 50.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.385 1.088 . . . . 0.0 111.818 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.49 0.38 42.69 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.336 -1.477 . . . . 0.0 111.12 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -174.35 4.68 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.267 1.508 . . . . 0.0 114.28 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.1 p -125.25 133.52 24.92 Favored Pre-proline 0 C--N 1.344 0.341 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.931 -164.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.09 1.6 8.52 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.355 2.037 . . . . 0.0 112.182 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 p -75.2 -41.88 56.81 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 125.949 1.7 . . . . 0.0 110.482 163.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -60.16 -49.21 78.55 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 122.364 1.078 . . . . 0.0 111.875 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.15 -19.32 62.44 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 55.27 51.45 13.1 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.845 1.658 . . . . 0.0 115.247 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -94.49 150.82 19.88 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 120.495 -1.378 . . . . 0.0 112.041 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.8 -99.5 0.14 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.49 1.516 . . . . 0.0 111.876 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.47 156.69 45.21 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.266 -1.521 . . . . 0.0 108.015 166.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 60.92 1.33 Allowed Glycine 0 CA--C 1.497 -1.066 0 O-C-N 121.358 -0.839 . . . . 0.0 113.577 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.77 154.46 38.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 122.021 -0.694 . . . . 0.0 109.803 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 p -142.13 81.14 1.74 Allowed 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 124.618 1.167 . . . . 0.0 108.344 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.79 123.76 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 122.454 1.121 . . . . 0.0 110.178 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.92 133.87 35.67 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 119.705 -1.872 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.36 125.15 74.16 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 O-C-N 120.512 -1.367 . . . . 0.0 110.797 -171.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 109.35 21.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 170.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.02 169.82 12.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.964 -1.085 . . . . 0.0 108.874 166.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -72.29 167.43 20.44 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 119.214 -2.179 . . . . 0.0 111.256 167.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.79 170.66 10.57 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.783 -1.823 . . . . 0.0 113.457 -175.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . 0.284 88.4 m 75.41 74.16 0.09 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.394 1.878 . . . . 0.0 111.608 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.94 -108.44 0.36 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 120.731 -1.231 . . . . 0.0 112.51 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.532 0 O-C-N 121.262 -1.14 . . . . 0.0 111.227 -177.793 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' SER . 18.9 mmt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' MET . 3.8 m -89.28 -153.85 0.28 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.757 1.623 . . . . 0.0 113.172 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 53.87 48.99 20.06 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.746 1.619 . . . . 0.0 114.398 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.64 41.8 18.21 Favored 'General case' 0 C--N 1.349 0.56 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -145.55 51.76 1.19 Allowed 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.789 -1.819 . . . . 0.0 111.265 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -122.88 171.67 9.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.881 1.672 . . . . 0.0 107.965 165.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.74 -79.08 1.88 Allowed Glycine 0 C--N 1.347 1.194 0 O-C-N 120.605 -1.309 . . . . 0.0 114.616 168.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.92 117.84 1.54 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 121.95 -0.735 . . . . 0.0 111.357 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -135.41 123.88 23.44 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.277 -1.131 . . . . 0.0 109.226 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.4 t -142.54 -165.71 2.1 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.901 -1.125 . . . . 0.0 108.387 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 52.88 64.62 1.79 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.586 2.354 . . . . 0.0 115.276 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -139.28 148.37 42.9 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 pt -103.64 170.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.744 1.618 . . . . 0.0 110.298 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -122.99 133.57 54.36 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 121.058 -1.026 . . . . 0.0 111.166 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.76 130.5 55.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -114.35 111.07 20.88 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.851 -1.156 . . . . 0.0 109.144 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.06 110.15 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 O-C-N 121.066 -1.021 . . . . 0.0 109.834 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.51 120.34 28.71 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.998 -1.064 . . . . 0.0 111.142 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.48 144.68 19.93 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 120.169 -1.582 . . . . 0.0 113.885 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -68.63 -28.98 67.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.116 -1.226 . . . . 0.0 113.603 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -94.96 67.61 3.13 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 119.692 -1.88 . . . . 0.0 109.693 160.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 74.17 -46.08 0.61 Allowed 'General case' 0 C--N 1.341 0.202 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 156.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.58 131.74 40.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.05 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 124.526 1.131 . . . . 0.0 108.836 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.63 128.14 75.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.475 -1.391 . . . . 0.0 108.801 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -106.81 138.32 43.21 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.141 -1.599 . . . . 0.0 112.654 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -121.1 170.22 9.76 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.57 1.176 . . . . 0.0 111.778 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -147.87 125.13 11.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 108.399 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -147.59 155.34 10.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 O-C-N 120.862 -1.149 . . . . 0.0 109.41 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -75.44 163.45 27.4 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.724 -1.86 . . . . 0.0 111.139 169.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.92 -13.83 60.26 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.489 -1.382 . . . . 0.0 113.626 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.99 -18.86 21.44 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.271 1.428 . . . . 0.0 113.619 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -102.87 128.59 27.49 Favored Pre-proline 0 C--N 1.345 0.4 0 O-C-N 120.694 -1.253 . . . . 0.0 107.738 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.25 158.1 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 122.302 1.858 . . . . 0.0 112.263 -162.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.71 -40.89 80.61 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.25 1.42 . . . . 0.0 112.175 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -52.88 -34.86 56.65 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.11 -44.25 84.87 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.173 -1.579 . . . . 0.0 111.568 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.98 -46.11 90.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.698 1.199 . . . . 0.0 111.965 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmt -55.16 -59.36 4.88 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -60.95 -39.27 88.89 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.542 -1.348 . . . . 0.0 113.546 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.69 83.58 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.678 -1.264 . . . . 0.0 113.896 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.404 -1.435 . . . . 0.0 113.496 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.86 -56.21 23.29 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.524 1.511 . . . . 0.0 112.969 168.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.65 -43.5 84.96 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.886 1.274 . . . . 0.0 113.121 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -75.31 -36.4 61.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.895 -1.753 . . . . 0.0 115.683 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -46.34 46.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.248 -1.533 . . . . 0.0 111.678 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.34 35.34 33.78 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.132 -0.98 . . . . 0.0 111.04 -173.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.1 167.25 15.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.488 1.115 . . . . 0.0 111.511 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -106.83 116.32 31.72 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 120.814 -1.178 . . . . 0.0 110.882 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.4 tpp -69.61 -14.15 62.68 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.063 -1.648 . . . . 0.0 113.76 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -69.56 -11.98 61.27 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.349 -1.47 . . . . 0.0 114.749 168.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.68 15.36 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 119.958 -1.714 . . . . 0.0 112.285 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.86 132.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 109.087 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -143.14 150.11 39.0 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.648 -1.282 . . . . 0.0 108.612 165.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -128.51 152.71 47.95 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.072 0.949 . . . . 0.0 110.698 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -157.83 158.78 35.82 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 121.147 -0.971 . . . . 0.0 113.215 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -135.1 136.54 42.04 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 47.03 44.51 15.06 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.23 1.412 . . . . 0.0 114.662 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.84 -31.26 3.37 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.071 -1.643 . . . . 0.0 115.731 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -96.13 138.98 21.57 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 124.722 1.209 . . . . 0.0 114.064 -163.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.61 138.39 29.31 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.497 2.132 . . . . 0.0 111.743 169.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 tt -106.54 162.09 5.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 C-N-CA 123.892 0.877 . . . . 0.0 112.335 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -99.6 121.7 41.58 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.603 -1.311 . . . . 0.0 109.418 171.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -81.49 11.99 4.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.854 -1.779 . . . . 0.0 114.549 -175.76 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -102.64 2.24 35.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.844 1.658 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.8 171.11 14.91 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.053 -1.03 . . . . 0.0 109.472 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 p -132.47 148.53 69.99 Favored Pre-proline 0 N--CA 1.473 0.705 0 O-C-N 120.33 -1.481 . . . . 0.0 112.637 -172.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.15 1.74 8.39 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 121.87 1.714 . . . . 0.0 113.29 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.3 p -89.05 -31.02 18.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.266 1.394 . . . . 0.0 110.728 164.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -66.42 -34.32 77.69 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.156 0.983 . . . . 0.0 113.62 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.41 -69.13 0.79 Allowed 'General case' 0 CA--C 1.513 -0.462 0 O-C-N 120.147 -1.595 . . . . 0.0 112.362 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 84.36 48.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.733 2.413 . . . . 0.0 112.674 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -145.59 -5.58 0.64 Allowed 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.712 -1.242 . . . . 0.0 112.698 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 46.32 1.35 Allowed 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 119.913 -1.742 . . . . 0.0 114.226 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.95 -39.53 34.31 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.219 -2.175 . . . . 0.0 111.603 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.93 92.92 0.43 Allowed Glycine 0 C--N 1.349 1.255 0 C-N-CA 124.4 1.0 . . . . 0.0 111.538 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.38 163.16 19.71 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.035 0.921 . . . . 0.0 111.474 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -152.72 51.62 0.76 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 127.21 2.204 . . . . 0.0 109.373 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 138.26 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 119.405 -2.059 . . . . 0.0 113.788 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.06 151.49 19.41 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 118.556 -2.59 . . . . 0.0 111.942 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.56 129.07 72.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-O 123.36 1.553 . . . . 0.0 112.098 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -87.45 134.35 33.61 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.391 -1.443 . . . . 0.0 108.141 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -136.96 154.26 50.48 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.907 1.283 . . . . 0.0 108.619 -167.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -21.04 45.05 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.348 -1.47 . . . . 0.0 113.564 170.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -76.57 126.27 30.69 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.881 -1.137 . . . . 0.0 111.982 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 m -139.02 134.61 33.26 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 120.897 -1.127 . . . . 0.0 108.836 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.99 -71.52 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.293 0 O-C-N 120.285 -1.509 . . . . 0.0 112.671 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -176.948 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m 64.82 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.355 0.838 0 C-N-CA 126.566 1.947 . . . . 0.0 114.229 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.4 71.69 10.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.742 -1.223 . . . . 0.0 108.016 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.346 53.0 tt0 9.87 -77.77 0.0 OUTLIER 'General case' 0 C--N 1.358 0.973 0 C-N-CA 130.767 3.627 . . . . 0.0 118.485 -155.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 82.04 -13.38 0.87 Allowed 'General case' 0 C--N 1.348 0.513 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 163.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 151.67 21.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.207 -1.558 . . . . 0.0 111.289 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.06 22.02 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.82 -1.175 . . . . 0.0 112.817 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.04 164.83 28.22 Favored Glycine 0 C--N 1.344 0.994 0 O-C-N 121.502 -0.999 . . . . 0.0 111.224 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -127.52 -59.93 1.2 Allowed 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.798 1.239 . . . . 0.0 110.126 173.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.93 -171.27 1.14 Allowed 'General case' 0 C--N 1.347 0.467 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 175.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -59.27 122.44 13.88 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.147 -1.596 . . . . 0.0 112.889 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 158.01 42.51 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.491 -2.006 . . . . 0.0 110.567 -170.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 pt -136.95 164.01 31.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 O-C-N 121.249 -0.907 . . . . 0.0 109.503 171.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -104.38 150.56 24.4 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.929 -1.107 . . . . 0.0 111.704 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.48 142.73 47.29 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -103.34 134.97 45.83 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.752 1.221 . . . . 0.0 109.74 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.93 113.61 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.414 -0.804 . . . . 0.0 108.838 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -87.85 92.75 9.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.64 121.63 5.56 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.068 -1.02 . . . . 0.0 111.646 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.7 -17.59 64.63 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -82.05 10.64 6.26 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.314 -1.491 . . . . 0.0 112.815 170.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 m120 80.39 7.44 1.49 Allowed 'General case' 0 C--N 1.352 0.68 0 C-N-CA 128.713 2.805 . . . . 0.0 112.643 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.68 70.13 10.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 122.621 1.2 . . . . 0.0 112.255 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.9 t -77.56 136.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 C-N-CA 125.427 1.491 . . . . 0.0 111.244 -176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.22 159.16 22.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 O-C-N 120.189 -1.569 . . . . 0.0 108.91 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.06 153.48 41.49 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 119.687 -1.883 . . . . 0.0 109.918 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -153.73 154.42 34.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.281 -0.887 . . . . 0.0 111.477 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -95.97 132.43 41.31 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.208 1.004 . . . . 0.0 111.803 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 tt -112.31 144.44 20.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 109.316 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -80.19 125.53 29.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.579 -1.326 . . . . 0.0 108.09 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -75.72 -7.34 54.12 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.437 -2.039 . . . . 0.0 116.338 -156.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.91 -47.5 71.56 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.22 -1.55 . . . . 0.0 113.315 167.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 p -74.2 140.68 76.72 Favored Pre-proline 0 C--N 1.348 0.54 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -163.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.21 172.73 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.484 2.123 . . . . 0.0 111.424 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.92 -28.52 60.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -47.92 -46.88 32.37 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 -172.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -34.68 77.72 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.662 -1.274 . . . . 0.0 112.328 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.72 -49.0 19.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.736 -1.228 . . . . 0.0 110.875 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -63.41 1.13 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.98 1.712 . . . . 0.0 114.172 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -71.87 -27.21 62.71 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.073 -1.017 . . . . 0.0 112.718 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.11 92.31 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.631 -1.293 . . . . 0.0 112.671 167.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.22 -42.06 98.96 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 119.77 -1.831 . . . . 0.0 113.122 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -54.68 -57.37 11.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.993 -1.067 . . . . 0.0 113.73 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -75.98 -26.12 56.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -82.45 -19.63 38.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.268 -2.145 . . . . 0.0 113.356 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.51 -42.78 13.26 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.856 -1.152 . . . . 0.0 112.521 169.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.34 42.46 1.75 Allowed Glycine 0 C--N 1.348 1.248 0 C-N-CA 125.054 1.311 . . . . 0.0 112.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.32 171.79 13.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.563 -0.963 . . . . 0.0 111.809 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 m -118.82 143.58 46.85 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.57 -1.331 . . . . 0.0 111.887 -171.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -26.47 67.03 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.556 -1.34 . . . . 0.0 113.192 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -49.28 -48.79 45.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 168.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.96 -32.72 8.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.572 -1.33 . . . . 0.0 111.963 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.39 120.87 18.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.749 -1.22 . . . . 0.0 111.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.19 99.75 7.85 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 119.425 -2.047 . . . . 0.0 108.481 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -101.98 145.17 29.65 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.754 -1.217 . . . . 0.0 111.439 -174.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 147.24 39.41 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 120.732 -1.23 . . . . 0.0 109.806 172.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -128.66 142.03 51.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 63.77 22.11 12.94 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 123.433 1.587 . . . . 0.0 111.396 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -18.36 22.39 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 120.083 -1.636 . . . . 0.0 114.361 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -113.13 164.72 14.84 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 126.137 1.775 . . . . 0.0 113.364 -161.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.93 117.3 5.01 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 122.316 2.011 . . . . 0.0 112.803 167.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -94.36 144.75 9.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 C-N-CA 125.555 1.542 . . . . 0.0 112.589 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.23 123.43 41.01 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.45 -1.406 . . . . 0.0 112.139 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -71.72 -2.75 18.52 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -85.54 -22.29 28.18 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.831 1.252 . . . . 0.0 111.731 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 122.17 20.0 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.688 -1.257 . . . . 0.0 109.638 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.6 p -79.22 147.37 68.94 Favored Pre-proline 0 C--N 1.347 0.488 0 O-C-N 119.924 -1.735 . . . . 0.0 111.206 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -70.49 -16.14 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 CA-C-N 123.415 2.255 . . . . 0.0 112.781 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -78.48 -24.72 45.76 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.541 1.064 . . . . 0.0 112.606 169.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.2 m -72.52 -41.71 65.58 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.159 -1.588 . . . . 0.0 110.604 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.32 -35.44 79.43 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.734 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 68.22 44.53 1.37 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.244 1.418 . . . . 0.0 113.843 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 52.0 mtm -95.91 -177.71 4.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.691 -1.255 . . . . 0.0 112.637 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -120.31 -176.57 3.24 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.43 1.092 . . . . 0.0 113.718 -162.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.97 86.53 7.37 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.121 -1.612 . . . . 0.0 113.217 -172.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.21 64.95 0.08 OUTLIER Glycine 0 C--N 1.346 1.118 0 O-C-N 121.036 -1.04 . . . . 0.0 111.59 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.99 160.86 16.16 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.843 . . . . 0.0 111.857 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -133.0 114.26 13.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.1 -1.625 . . . . 0.0 113.947 -169.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -114.27 138.64 43.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.655 -1.278 . . . . 0.0 111.679 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.84 138.52 31.92 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.094 -1.629 . . . . 0.0 111.748 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.96 116.35 42.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 122.605 1.193 . . . . 0.0 110.953 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.02 123.9 33.77 Favored 'General case' 0 N--CA 1.442 -0.867 0 O-C-N 121.104 -0.998 . . . . 0.0 108.663 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -136.36 137.59 40.73 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -70.39 0.21 Allowed 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.597 -0.69 . . . . 0.0 109.258 174.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -62.95 126.67 28.1 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.782 1.233 . . . . 0.0 112.314 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 p -87.58 162.39 17.2 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 122.988 1.375 . . . . 0.0 114.584 -164.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.65 -34.29 1.91 Allowed Glycine 0 C--N 1.345 1.072 0 C-N-CA 124.955 1.264 . . . . 0.0 110.539 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.445 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.499 2.022 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -88.22 65.93 8.27 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.727 -1.858 . . . . 0.0 109.945 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -137.01 -84.19 0.34 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 124.072 1.891 . . . . 0.0 109.834 -167.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 3.6 pt-20 -145.56 -65.57 0.32 Allowed 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 128.366 2.666 . . . . 0.0 105.399 -165.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.36 105.19 4.0 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.504 2.322 . . . . 0.0 112.831 171.172 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.5 171.27 20.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.034 -1.041 . . . . 0.0 111.074 -171.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.47 44.27 6.6 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 120.809 -1.182 . . . . 0.0 115.958 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.76 93.17 0.05 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 115.606 1.002 . . . . 0.0 115.606 174.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.67 130.37 39.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.815 -1.403 . . . . 0.0 112.911 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -167.4 -171.84 1.8 Allowed 'General case' 0 C--N 1.344 0.358 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -40.81 109.34 0.11 Allowed 'General case' 0 C--N 1.352 0.674 0 C-N-CA 129.375 3.07 . . . . 0.0 116.904 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -139.08 159.81 41.26 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.18 142.21 42.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 C-N-CA 123.848 0.859 . . . . 0.0 110.686 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -86.44 123.12 31.32 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 112.721 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.47 140.01 40.04 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.552 1.541 . . . . 0.0 109.795 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -115.99 114.72 24.99 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.041 -1.037 . . . . 0.0 110.034 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.94 115.05 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 O-C-N 120.419 -1.425 . . . . 0.0 109.56 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.84 117.38 33.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.51 0.724 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.08 147.51 18.61 Favored Glycine 0 C--N 1.347 1.141 0 O-C-N 120.659 -1.276 . . . . 0.0 112.981 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.82 -19.64 65.78 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.502 -1.587 . . . . 0.0 112.692 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.07 -7.1 53.93 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 130.397 3.479 . . . . 0.0 113.507 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.265 27.0 m120 75.42 21.98 1.72 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.327 2.251 . . . . 0.0 114.839 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.07 131.8 35.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.56 -1.338 . . . . 0.0 110.392 158.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.55 117.34 23.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.442 0 O-C-N 120.779 -1.2 . . . . 0.0 109.273 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.26 147.11 32.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 120.51 -1.368 . . . . 0.0 111.037 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -115.9 134.73 54.68 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.044 -1.035 . . . . 0.0 110.26 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -141.37 177.68 7.94 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -134.35 144.26 48.15 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.35 -1.469 . . . . 0.0 112.312 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 tt -116.0 146.21 20.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 C-N-CA 124.418 1.087 . . . . 0.0 108.499 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -80.65 136.08 36.15 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.989 -1.695 . . . . 0.0 109.969 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.32 -23.37 62.42 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -167.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -75.83 -20.6 58.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 120.735 -1.228 . . . . 0.0 113.814 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -93.14 128.43 43.11 Favored Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 120.542 -1.349 . . . . 0.0 109.49 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.52 161.5 42.14 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 121.983 1.789 . . . . 0.0 112.933 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.64 -30.17 66.72 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -171.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -46.61 -44.79 18.55 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 126.9 2.08 . . . . 0.0 114.762 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -49.44 76.98 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.573 1.149 . . . . 0.0 111.933 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.54 -53.4 52.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.772 0.829 . . . . 0.0 112.105 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -53.63 55.95 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.998 1.319 . . . . 0.0 114.018 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -73.3 -32.23 64.49 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.756 -1.215 . . . . 0.0 112.23 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.479 -1.388 . . . . 0.0 113.197 169.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.82 -46.2 88.2 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.84 -1.162 . . . . 0.0 112.2 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -55.5 -49.33 72.85 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.21 -44.71 71.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -79.18 -32.07 44.04 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 121.245 -0.909 . . . . 0.0 113.322 -173.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.16 61.32 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.682 -1.261 . . . . 0.0 110.881 166.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 42.68 3.4 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.267 -0.896 . . . . 0.0 114.483 164.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -118.84 0.31 Allowed 'General case' 0 C--N 1.344 0.341 0 C-N-CA 124.454 1.102 . . . . 0.0 110.774 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -173.19 162.02 4.39 Favored 'General case' 0 CA--C 1.504 -0.816 0 O-C-N 119.782 -1.824 . . . . 0.0 106.582 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 tpt -77.15 -26.95 53.59 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 122.225 1.012 . . . . 0.0 111.942 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -40.42 -68.36 0.18 Allowed 'General case' 0 C--N 1.347 0.462 0 C-N-CA 127.486 2.314 . . . . 0.0 115.387 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.15 9.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.393 0 O-C-N 120.216 -1.552 . . . . 0.0 114.892 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.38 89.91 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.593 1.557 . . . . 0.0 108.866 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -92.51 87.36 5.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 119.392 -2.067 . . . . 0.0 112.459 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -81.98 131.31 35.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.539 1.535 . . . . 0.0 113.517 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -136.85 140.82 42.67 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.367 -1.458 . . . . 0.0 110.02 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -126.51 133.03 51.25 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.458 -1.401 . . . . 0.0 108.094 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.73 7.4 4.49 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.974 1.31 . . . . 0.0 112.073 -167.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.42 -15.14 63.83 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 120.135 -1.603 . . . . 0.0 112.511 -168.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -101.96 161.08 24.54 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.603 1.561 . . . . 0.0 112.665 -168.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -71.49 156.69 57.79 Favored 'Trans proline' 0 C--N 1.331 -0.367 0 CA-C-N 122.202 1.822 . . . . 0.0 111.494 167.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.2 143.9 28.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 CA-C-O 122.001 0.905 . . . . 0.0 110.533 -170.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.46 111.23 5.85 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 125.341 1.456 . . . . 0.0 113.246 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.35 -32.14 73.62 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.124 -1.61 . . . . 0.0 114.202 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.92 81.98 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.9 159.24 33.0 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 124.15 1.929 . . . . 0.0 115.838 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 p -91.91 159.34 38.21 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 127.123 2.169 . . . . 0.0 107.36 169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -73.26 -4.24 15.07 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 CA-C-N 122.774 2.026 . . . . 0.0 113.236 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -75.02 -31.95 61.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.048 0.939 . . . . 0.0 111.798 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -54.51 -35.48 63.21 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.302 -1.499 . . . . 0.0 113.624 174.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.1 mt -98.17 1.52 47.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.678 1.191 . . . . 0.0 112.707 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 46.32 60.81 3.05 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.743 1.617 . . . . 0.0 114.525 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.77 170.57 11.61 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.894 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -132.61 -90.1 0.41 Allowed 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.648 1.179 . . . . 0.0 109.624 -161.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.27 171.85 7.66 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.481 0.712 . . . . 0.0 109.749 156.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.91 17.38 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 124.43 1.014 . . . . 0.0 111.941 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.26 101.64 0.44 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.617 1.967 . . . . 0.0 115.117 -166.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.6 p -80.65 103.32 10.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.922 -1.112 . . . . 0.0 111.745 176.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 tt -101.32 120.7 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -90.41 115.95 27.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 123.332 1.539 . . . . 0.0 110.294 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -110.41 110.25 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.031 -1.668 . . . . 0.0 111.238 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -85.04 91.43 8.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.576 -1.328 . . . . 0.0 109.29 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -85.6 131.52 34.34 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.345 -0.847 . . . . 0.0 110.388 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -147.01 0.14 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -169.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -81.57 155.22 25.81 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.324 -2.11 . . . . 0.0 113.342 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . 0.281 29.4 m 67.18 85.42 0.14 Allowed 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 127.002 2.121 . . . . 0.0 112.372 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.45 -165.27 40.16 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 167.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.348 0 O-C-N 120.42 -1.636 . . . . 0.0 111.398 -176.4 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.41 -139.51 0.02 OUTLIER 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.284 1.434 . . . . 0.0 108.05 -167.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.54 146.83 31.1 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.434 -2.042 . . . . 0.0 109.59 154.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -81.25 60.63 4.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 122.795 1.284 . . . . 0.0 112.847 -169.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -75.88 -25.74 56.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.967 1.307 . . . . 0.0 112.052 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 147.03 24.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.807 -1.183 . . . . 0.0 111.839 172.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.1 -94.37 2.32 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.024 -1.048 . . . . 0.0 112.114 170.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.8 159.69 25.06 Favored Glycine 0 C--N 1.344 0.987 0 O-C-N 121.123 -1.222 . . . . 0.0 110.949 174.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.65 73.16 6.76 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 122.416 1.103 . . . . 0.0 113.353 -164.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.8 143.36 39.86 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 120.234 -1.541 . . . . 0.0 114.674 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.66 140.67 10.83 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 130.066 3.346 . . . . 0.0 118.705 -163.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -151.63 162.48 40.91 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.205 -1.559 . . . . 0.0 115.134 -160.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 pt -102.6 166.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 124.509 1.124 . . . . 0.0 109.031 168.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.03 97.03 3.63 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.004 -1.06 . . . . 0.0 109.972 -165.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.39 121.72 25.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.882 -1.136 . . . . 0.0 111.073 -172.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -109.24 95.59 5.73 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.075 1.35 . . . . 0.0 107.661 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 t -101.52 114.32 40.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.04 -1.037 . . . . 0.0 109.988 -172.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.53 103.4 13.08 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.276 -0.89 . . . . 0.0 111.99 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.22 137.34 16.28 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.838 -1.788 . . . . 0.0 113.675 173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -27.96 65.4 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.377 1.471 . . . . 0.0 112.904 175.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.23 22.64 0.21 Allowed 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.79 2.436 . . . . 0.0 114.045 172.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 66.53 22.99 10.51 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 126.689 1.996 . . . . 0.0 113.576 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.37 87.31 4.1 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.779 -1.201 . . . . 0.0 110.618 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -99.32 113.54 34.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 120.916 -1.115 . . . . 0.0 108.988 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -127.87 146.16 33.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.93 -1.106 . . . . 0.0 111.793 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -118.95 134.62 55.07 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.816 1.246 . . . . 0.0 111.459 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.16 159.25 41.32 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.593 0.757 . . . . 0.0 109.801 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -128.9 134.09 48.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.138 -1.601 . . . . 0.0 113.763 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -121.49 148.8 24.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.234 -1.541 . . . . 0.0 109.231 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.37 146.53 40.78 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.077 -1.639 . . . . 0.0 113.212 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -80.27 42.12 0.56 Allowed 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.608 1.706 . . . . 0.0 115.608 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -132.77 -43.22 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.839 1.655 . . . . 0.0 109.719 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -74.36 125.66 89.66 Favored Pre-proline 0 C--N 1.35 0.59 0 C-N-CA 125.021 1.328 . . . . 0.0 111.432 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.98 160.52 42.9 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 CA-C-N 123.364 2.237 . . . . 0.0 112.496 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.75 -35.42 80.67 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.206 1.403 . . . . 0.0 112.985 -170.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -42.97 -46.77 5.56 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.38 2.272 . . . . 0.0 116.484 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -65.38 -37.69 87.75 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.294 -1.503 . . . . 0.0 112.831 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.98 -40.06 83.18 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.938 -1.101 . . . . 0.0 111.208 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.0 mmt -55.47 -50.55 69.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.299 1.04 . . . . 0.0 112.85 171.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.86 -55.36 35.4 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 121.028 -1.045 . . . . 0.0 112.714 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.879 1.272 . . . . 0.0 114.204 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -66.03 -40.74 91.28 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.857 -1.152 . . . . 0.0 112.902 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.23 -54.69 40.95 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.618 -1.301 . . . . 0.0 112.971 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.38 -42.6 98.97 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.923 1.289 . . . . 0.0 112.788 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -67.4 -40.67 85.63 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.172 -1.58 . . . . 0.0 113.254 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.06 -45.36 85.69 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 121.143 -0.973 . . . . 0.0 112.546 172.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.46 34.62 1.41 Allowed Glycine 0 C--N 1.345 1.071 0 C-N-CA 124.404 1.002 . . . . 0.0 112.653 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.4 -177.12 4.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.434 1.094 . . . . 0.0 109.547 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -140.1 168.0 20.82 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 120.304 -1.498 . . . . 0.0 110.463 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 tpt -66.64 -25.54 66.63 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 -166.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -66.62 -16.17 63.99 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -171.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -91.79 -0.87 9.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.671 -1.268 . . . . 0.0 112.074 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.6 t -110.98 109.08 27.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 O-C-N 120.612 -1.305 . . . . 0.0 110.938 -170.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.69 96.49 7.96 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.668 -1.895 . . . . 0.0 108.982 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -88.84 139.86 30.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.307 -0.871 . . . . 0.0 110.74 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -134.43 131.52 38.26 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.624 -1.297 . . . . 0.0 111.004 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -104.45 115.28 30.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.56 25.45 13.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.122 1.439 . . . . 0.0 114.533 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.0 -1.81 86.86 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 120.062 -1.649 . . . . 0.0 114.513 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -118.73 171.06 5.64 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 124.965 1.306 . . . . 0.0 111.095 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.95 168.61 24.37 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 121.911 1.718 . . . . 0.0 112.377 166.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.85 151.99 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.27 125.86 35.64 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.22 -1.55 . . . . 0.0 111.535 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.82 -23.53 67.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.278 1.831 . . . . 0.0 115.112 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.26 -32.22 24.54 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.712 1.205 . . . . 0.0 112.648 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -75.53 162.37 28.36 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 122.73 1.252 . . . . 0.0 112.5 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 p -100.87 152.62 37.89 Favored Pre-proline 0 C--N 1.349 0.575 0 O-C-N 120.022 -1.674 . . . . 0.0 111.865 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 -16.87 31.74 Favored 'Trans proline' 0 CA--C 1.52 -0.179 0 C-N-CA 122.317 2.011 . . . . 0.0 111.563 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 m -76.69 -35.34 57.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 126.426 1.89 . . . . 0.0 110.431 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.9 m -65.22 -43.39 91.61 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.865 -1.147 . . . . 0.0 111.815 169.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.62 -47.58 39.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.312 70.9 mt-10 74.86 66.63 0.08 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.274 1.829 . . . . 0.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 mmt -115.07 11.07 16.32 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.697 1.199 . . . . 0.0 111.402 174.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.281 23.5 tt0 58.32 -108.19 0.4 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.264 1.426 . . . . 0.0 114.147 -168.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.54 135.71 13.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.345 1.069 . . . . 0.0 110.036 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.79 48.18 0.11 Allowed Glycine 0 CA--C 1.493 -1.291 0 O-C-N 120.205 -1.559 . . . . 0.0 110.057 -176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 92.12 4.7 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 129.568 3.147 . . . . 0.0 111.973 -156.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -86.07 129.46 34.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.437 -1.414 . . . . 0.0 113.718 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 tt -145.53 132.46 15.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 120.124 -1.61 . . . . 0.0 110.716 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.94 142.68 30.13 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.975 -1.703 . . . . 0.0 110.979 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.04 116.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 CA-C-O 122.519 1.152 . . . . 0.0 112.107 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.29 96.32 10.21 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.616 -1.303 . . . . 0.0 111.266 174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 129.63 36.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.042 1.337 . . . . 0.0 110.213 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.56 -11.49 59.65 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 76.24 162.19 0.24 Allowed 'General case' 0 C--N 1.351 0.664 0 C-N-CA 126.704 2.002 . . . . 0.0 115.51 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.0 m 73.13 94.8 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.919 2.088 . . . . 0.0 112.407 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.87 26.87 0.13 Allowed Glycine 0 C--N 1.35 1.36 0 O-C-N 120.444 -1.41 . . . . 0.0 115.764 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.848 0 O-C-N 120.448 -1.619 . . . . 0.0 111.239 177.024 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -70.56 -124.52 0.0 OUTLIER 'General case' 0 C--N 1.346 0.413 0 C-N-CA 126.49 1.916 . . . . 0.0 112.605 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.94 -38.16 53.89 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.848 2.059 . . . . 0.0 110.493 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -84.73 148.9 26.12 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.446 2.07 . . . . 0.0 113.347 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -78.58 81.13 4.93 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.787 1.235 . . . . 0.0 109.438 166.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.98 85.41 0.7 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.531 -1.356 . . . . 0.0 110.989 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.9 94.97 0.1 OUTLIER Glycine 0 CA--C 1.499 -0.959 0 O-C-N 121.4 -0.813 . . . . 0.0 111.14 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.69 -92.71 1.11 Allowed Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' HG2' ' H ' ' A' ' 10' ' ' THR 0.272 15.5 tt0 83.72 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.881 1.673 . . . . 0.0 112.053 174.479 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.6 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 14.4 t -161.5 174.83 12.85 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 119.695 -1.878 . . . . 0.0 108.898 -175.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.298 2.2 tp10 26.15 53.64 0.04 OUTLIER 'General case' 0 C--N 1.347 0.499 0 C-N-CA 131.568 3.947 . . . . 0.0 118.552 -171.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.2 139.54 50.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.52 1.528 . . . . 0.0 111.278 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 pt -97.38 154.96 3.66 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 O-C-N 121.334 -0.854 . . . . 0.0 110.878 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -101.68 113.06 25.87 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 110.807 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.63 114.54 26.89 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 121.289 -0.882 . . . . 0.0 109.723 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.2 111.93 24.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.124 1.369 . . . . 0.0 110.126 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.02 106.15 20.12 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 121.157 -0.964 . . . . 0.0 111.145 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.12 104.46 16.41 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.938 -1.101 . . . . 0.0 110.947 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.76 130.29 9.72 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 120.676 -1.265 . . . . 0.0 114.436 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -55.63 14.64 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.12 1.768 . . . . 0.0 112.503 170.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.47 23.25 0.41 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.091 2.557 . . . . 0.0 113.352 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 75.81 2.0 3.63 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 127.906 2.483 . . . . 0.0 114.789 167.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 108.53 16.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 121.029 -1.044 . . . . 0.0 111.278 174.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -110.65 133.26 56.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 O-C-N 120.596 -1.315 . . . . 0.0 109.903 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.2 m -133.55 164.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.727 -1.233 . . . . 0.0 110.003 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.67 133.74 19.29 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.315 -1.491 . . . . 0.0 110.625 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.57 162.53 23.86 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.748 -1.22 . . . . 0.0 111.864 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 142.37 51.55 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 121.317 -0.865 . . . . 0.0 110.685 169.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.26 148.66 17.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 O-C-N 120.888 -1.133 . . . . 0.0 108.688 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.46 141.72 34.97 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.12 -1.612 . . . . 0.0 110.485 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -56.38 -20.53 19.79 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 -167.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -79.2 -20.76 47.55 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.058 1.743 . . . . 0.0 114.619 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.2 m -97.25 128.56 34.61 Favored Pre-proline 0 C--N 1.347 0.473 0 O-C-N 120.642 -1.286 . . . . 0.0 108.294 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.06 164.48 35.37 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 CA-C-N 123.092 2.14 . . . . 0.0 112.432 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.91 -41.18 95.78 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.357 1.063 . . . . 0.0 112.875 -165.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -35.36 -46.98 0.4 Allowed 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.105 2.562 . . . . 0.0 116.032 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -38.3 85.31 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.012 -1.68 . . . . 0.0 112.784 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.2 -47.47 50.34 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 121.163 -0.961 . . . . 0.0 111.337 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.84 -51.22 70.48 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.669 1.188 . . . . 0.0 113.544 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.8 -45.71 93.33 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.205 1.002 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.08 94.16 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.94 -47.07 81.92 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.963 -1.086 . . . . 0.0 113.377 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.77 -42.17 91.16 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.196 -1.565 . . . . 0.0 113.721 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.83 -55.35 33.57 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.215 1.406 . . . . 0.0 113.464 170.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -73.52 -33.7 64.89 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.903 -1.123 . . . . 0.0 112.046 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.59 42.37 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.143 -1.598 . . . . 0.0 112.966 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.95 4.52 22.61 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 121.169 -0.957 . . . . 0.0 113.063 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 129.14 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 120.837 -1.39 . . . . 0.0 110.697 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -89.2 127.38 35.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.275 -1.516 . . . . 0.0 109.474 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.0 tpt -62.68 -35.1 78.58 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -162.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.8 -2.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 O-C-N 120.921 -1.112 . . . . 0.0 113.131 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.16 121.83 62.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 O-C-N 121.063 -1.023 . . . . 0.0 109.181 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.31 116.63 32.23 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.233 -1.542 . . . . 0.0 110.982 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -125.58 132.39 52.55 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -135.46 148.41 49.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.493 -1.379 . . . . 0.0 112.451 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.74 120.46 35.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.037 1.335 . . . . 0.0 108.13 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 54.58 39.8 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 122.704 1.24 . . . . 0.0 113.338 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -7.67 78.08 Favored Glycine 0 C--N 1.351 1.38 0 O-C-N 120.313 -1.492 . . . . 0.0 116.071 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.49 157.13 66.24 Favored Pre-proline 0 C--N 1.347 0.497 0 CA-C-N 119.171 1.485 . . . . 0.0 110.927 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.27 150.66 65.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 CA-C-N 122.963 2.094 . . . . 0.0 111.7 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 tt -117.18 136.97 52.63 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-O 122.523 1.154 . . . . 0.0 110.916 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -98.53 120.71 39.43 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.989 -1.069 . . . . 0.0 109.606 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.56 -24.25 63.68 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -166.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -77.23 -29.4 54.1 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.652 -1.28 . . . . 0.0 114.267 -165.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -86.49 176.39 7.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.842 1.306 . . . . 0.0 112.56 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -98.89 149.25 35.57 Favored Pre-proline 0 C--N 1.347 0.479 0 O-C-N 119.646 -1.909 . . . . 0.0 113.816 -171.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.51 1.58 8.65 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.143 1.895 . . . . 0.0 111.961 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -81.34 -32.6 32.94 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.97 1.308 . . . . 0.0 111.372 171.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -71.17 -41.77 69.93 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 120.001 -1.687 . . . . 0.0 112.469 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.03 -12.97 61.82 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.294 69.8 mt-10 29.61 71.09 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 115.844 -163.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.8 tpp -92.97 151.25 20.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.92 -94.56 0.1 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.492 -1.38 . . . . 0.0 111.913 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.92 140.03 34.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 158.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.32 59.16 0.07 OUTLIER Glycine 0 CA--C 1.486 -1.774 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.73 85.14 5.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 122.98 1.372 . . . . 0.0 109.272 -163.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.0 p -86.97 114.7 23.8 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.941 1.696 . . . . 0.0 113.999 -172.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -119.65 134.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 O-C-N 121.002 -1.061 . . . . 0.0 110.547 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.13 138.99 31.02 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.242 -1.536 . . . . 0.0 108.866 171.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.29 122.47 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 122.819 1.295 . . . . 0.0 109.653 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -106.05 108.77 20.45 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.598 -1.314 . . . . 0.0 108.057 170.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -94.48 152.5 18.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 120.65 -1.281 . . . . 0.0 108.724 168.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -76.25 144.34 40.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 119.648 -1.907 . . . . 0.0 112.901 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.85 114.01 5.36 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.444 -1.41 . . . . 0.0 109.731 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.3 m -103.07 -51.57 3.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.275 -0.891 . . . . 0.0 109.244 -167.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 86.31 0.06 OUTLIER Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.821 0 O-C-N 121.241 -1.153 . . . . 0.0 111.34 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 61.5 31.18 19.0 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.31 1.529 . . . . 0.0 111.962 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.48 -167.7 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 99.415 -4.291 . . . . 0.0 99.415 -158.723 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -58.8 167.98 1.38 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.36 1.064 . . . . 0.0 112.334 158.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -56.06 -73.38 0.06 Allowed 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.695 -1.878 . . . . 0.0 116.034 -171.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 103.02 163.63 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.909 3.284 . . . . 0.0 110.09 -167.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.21 -70.83 3.08 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.567 -1.333 . . . . 0.0 115.46 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.93 -85.25 0.07 OUTLIER Glycine 0 C--N 1.345 1.057 0 O-C-N 121.354 -1.086 . . . . 0.0 114.094 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 73.16 -31.85 0.23 Allowed 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.908 2.083 . . . . 0.0 116.463 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.4 p -70.84 171.33 10.81 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 119.859 -1.776 . . . . 0.0 114.475 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 35.34 64.69 0.44 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.276 2.63 . . . . 0.0 117.769 169.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -119.73 161.45 20.72 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.853 -1.155 . . . . 0.0 112.997 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -130.68 143.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 124.41 1.084 . . . . 0.0 109.17 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -99.74 148.66 24.15 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.687 -1.258 . . . . 0.0 113.076 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.19 151.68 37.92 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.372 1.069 . . . . 0.0 109.236 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.16 117.91 29.94 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.79 1.236 . . . . 0.0 110.291 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.6 121.3 61.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.569 -1.332 . . . . 0.0 110.016 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.02 99.45 9.2 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.124 -0.985 . . . . 0.0 110.903 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.29 132.69 12.95 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.204 -1.56 . . . . 0.0 114.057 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -10.69 60.05 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.767 -1.431 . . . . 0.0 112.697 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -85.71 5.56 31.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.672 2.389 . . . . 0.0 112.174 168.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 80.33 14.06 0.84 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 129.493 3.117 . . . . 0.0 113.376 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.07 76.93 8.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.214 -1.554 . . . . 0.0 112.348 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.48 117.3 30.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 O-C-N 120.267 -1.52 . . . . 0.0 110.109 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.44 160.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.968 -1.083 . . . . 0.0 110.256 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -150.84 145.25 25.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.835 -1.79 . . . . 0.0 112.292 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -141.64 165.21 28.1 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 109.678 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -125.81 146.09 49.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.75 0.786 . . . . 0.0 111.744 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.27 156.94 30.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 121.286 -0.883 . . . . 0.0 111.071 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.2 146.56 36.94 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.615 -1.303 . . . . 0.0 110.864 170.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -51.19 -45.21 61.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.702 2.001 . . . . 0.0 115.757 -171.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -2.0 58.31 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.808 1.643 . . . . 0.0 115.057 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.4 m -87.73 119.0 70.45 Favored Pre-proline 0 C--N 1.344 0.363 0 O-C-N 119.563 -1.961 . . . . 0.0 109.958 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.63 157.72 40.0 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.575 1.955 . . . . 0.0 112.836 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.93 -41.03 97.76 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.58 1.152 . . . . 0.0 112.793 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -42.56 -41.23 2.94 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 128.295 2.638 . . . . 0.0 115.955 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -24.53 62.84 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.077 -1.64 . . . . 0.0 112.9 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 tt -86.18 -45.49 11.29 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.272 1.029 . . . . 0.0 110.615 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.5 mmt -57.4 -48.61 78.64 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 120.51 -1.369 . . . . 0.0 113.882 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.3 -32.85 73.29 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.537 -1.352 . . . . 0.0 111.345 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.01 71.6 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.511 -1.368 . . . . 0.0 113.467 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -56.09 -53.01 62.13 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.884 -1.135 . . . . 0.0 112.086 172.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.6 -45.34 70.02 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.334 1.054 . . . . 0.0 113.701 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -50.56 46.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.028 1.731 . . . . 0.0 113.976 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.1 -42.28 56.93 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.982 -1.699 . . . . 0.0 113.16 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.61 -31.35 61.98 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.387 -1.446 . . . . 0.0 111.923 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.79 60.07 1.82 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 121.248 -0.907 . . . . 0.0 111.735 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.17 163.69 32.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.099 0.952 . . . . 0.0 111.284 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -88.45 146.02 25.45 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.743 -1.223 . . . . 0.0 108.584 172.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.23 -23.81 64.85 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.355 -1.466 . . . . 0.0 111.604 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -59.81 -27.52 66.66 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -96.69 -0.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.475 -1.391 . . . . 0.0 112.145 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.13 107.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.972 1.309 . . . . 0.0 108.031 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -123.49 107.29 11.41 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.479 -2.013 . . . . 0.0 111.02 -170.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -109.35 147.88 32.0 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -169.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 144.4 50.45 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.85 1.26 . . . . 0.0 109.743 175.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -124.11 115.78 21.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.416 1.886 . . . . 0.0 108.08 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 59.55 26.81 15.87 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 123.175 1.464 . . . . 0.0 112.826 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.5 -25.45 20.78 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 119.974 -1.704 . . . . 0.0 114.016 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -89.91 159.15 43.55 Favored Pre-proline 0 C--N 1.341 0.238 0 O-C-N 120.603 -1.528 . . . . 0.0 110.22 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -71.2 150.4 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 CA-C-N 123.561 2.307 . . . . 0.0 110.967 160.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 tt -107.07 164.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 O-C-N 121.301 -0.875 . . . . 0.0 108.738 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -117.18 153.27 33.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.866 -1.146 . . . . 0.0 108.253 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -106.12 -4.63 20.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -163.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.09 -36.93 58.71 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 119.33 -2.106 . . . . 0.0 115.799 -166.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.52 169.1 16.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.187 1.795 . . . . 0.0 114.691 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.7 p -87.76 147.86 42.32 Favored Pre-proline 0 C--N 1.351 0.65 0 O-C-N 120.454 -1.404 . . . . 0.0 108.117 165.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.03 -3.04 13.15 Favored 'Trans proline' 0 C--N 1.332 -0.298 0 C-N-CA 121.997 1.798 . . . . 0.0 113.526 -167.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -68.12 -26.36 65.76 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.756 -1.215 . . . . 0.0 114.237 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -76.28 -1.44 26.58 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.572 -1.33 . . . . 0.0 113.8 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -91.03 -24.44 20.06 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.923 -1.111 . . . . 0.0 112.499 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.263 75.2 mt-10 43.98 74.73 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.707 2.403 . . . . 0.0 116.699 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 tpp -127.25 -6.18 5.98 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.835 -1.165 . . . . 0.0 113.052 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.298 30.3 tt0 57.28 -88.84 0.02 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.272 1.429 . . . . 0.0 114.808 -153.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.26 176.89 11.21 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.684 -1.26 . . . . 0.0 110.859 -175.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.07 37.48 15.5 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 120.938 -1.101 . . . . 0.0 111.688 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.29 129.18 36.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.855 1.262 . . . . 0.0 111.137 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 p -109.88 90.76 3.4 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.604 1.192 . . . . 0.0 113.986 -163.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -101.85 141.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 O-C-N 119.966 -1.708 . . . . 0.0 111.252 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -109.02 150.34 27.91 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 119.962 -1.711 . . . . 0.0 110.605 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.68 130.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 122.95 1.357 . . . . 0.0 112.927 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.0 122.9 29.4 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 119.86 -1.775 . . . . 0.0 109.499 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -127.44 145.26 50.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -77.38 137.99 39.05 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.139 -1.601 . . . . 0.0 114.878 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -74.66 149.6 39.88 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.157 -1.589 . . . . 0.0 111.141 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -137.78 -105.07 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.89 64.36 0.05 OUTLIER Glycine 0 C--N 1.349 1.271 0 O-C-N 118.843 -2.411 . . . . 0.0 112.804 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.628 0 O-C-N 121.984 -0.715 . . . . 0.0 112.837 179.324 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m 61.39 -91.81 0.03 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 124.268 1.027 . . . . 0.0 110.784 -160.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -83.16 -137.74 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 164.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -81.54 -106.35 0.03 OUTLIER 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.588 -1.945 . . . . 0.0 112.292 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -95.13 148.52 22.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.993 -1.692 . . . . 0.0 109.778 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -144.08 178.24 8.01 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.8 -161.58 32.89 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 106.185 -2.766 . . . . 0.0 106.185 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.77 30.03 8.27 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-O 122.644 1.136 . . . . 0.0 110.447 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.09 126.28 30.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.73 1.612 . . . . 0.0 111.364 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -158.09 -129.48 0.03 OUTLIER 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.05 -1.031 . . . . 0.0 108.963 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.0 101.36 13.11 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 119.114 -2.241 . . . . 0.0 113.656 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -147.37 -179.54 6.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.404 -1.435 . . . . 0.0 110.484 -172.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 pt -127.8 142.89 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 120.76 -1.213 . . . . 0.0 108.328 161.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -92.61 99.81 12.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 165.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.19 133.07 40.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.303 -1.498 . . . . 0.0 111.653 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -91.75 112.73 24.77 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.928 -1.107 . . . . 0.0 111.007 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 t -110.71 112.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.748 0.819 . . . . 0.0 110.667 -170.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.39 119.8 39.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.198 -0.939 . . . . 0.0 110.732 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.41 147.9 16.93 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 123.108 1.393 . . . . 0.0 114.622 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.08 -16.0 62.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.564 1.546 . . . . 0.0 113.656 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -92.2 17.08 10.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.115 1.766 . . . . 0.0 112.119 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.54 16.19 1.58 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.336 2.254 . . . . 0.0 112.352 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 139.55 37.03 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 120.227 -1.546 . . . . 0.0 112.563 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.52 111.44 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 168.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.65 169.57 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 O-C-N 121.088 -1.007 . . . . 0.0 108.91 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -157.05 144.35 18.77 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.333 -1.479 . . . . 0.0 109.297 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -140.73 154.66 46.41 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 121.303 -0.873 . . . . 0.0 111.325 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -101.94 123.52 45.99 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 121.139 -0.976 . . . . 0.0 112.383 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.48 139.85 50.53 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 124.162 0.985 . . . . 0.0 109.713 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -62.89 144.37 56.76 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.06 -1.65 . . . . 0.0 111.501 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -66.26 -33.63 76.17 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.84 -1.788 . . . . 0.0 113.633 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -84.09 0.6 47.73 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 p -101.87 143.7 27.11 Favored Pre-proline 0 C--N 1.355 0.82 0 O-C-N 119.3 -2.125 . . . . 0.0 112.226 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.23 165.68 25.44 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.401 2.068 . . . . 0.0 114.397 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.11 -47.7 34.47 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.842 1.257 . . . . 0.0 114.132 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -40.27 -47.74 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.65 -48.5 72.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 113.193 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.89 -42.66 80.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.84 1.256 . . . . 0.0 111.471 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 95.5 mtp -56.34 -52.69 63.63 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.59 1.156 . . . . 0.0 112.829 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -64.01 -46.78 82.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.87 78.24 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -71.47 -41.77 68.95 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.067 -1.021 . . . . 0.0 112.528 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.3 m -59.08 -49.8 76.48 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.64 -1.288 . . . . 0.0 113.733 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.02 -33.69 71.03 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -73.74 -48.02 34.91 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.276 -1.515 . . . . 0.0 113.73 173.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.27 -35.46 77.34 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.944 -1.098 . . . . 0.0 112.039 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 4.07 58.75 Favored Glycine 0 CA--C 1.495 -1.189 0 O-C-N 121.143 -0.973 . . . . 0.0 112.825 166.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.07 -178.97 6.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.089 1.423 . . . . 0.0 113.916 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -110.29 114.62 28.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 120.593 -1.317 . . . . 0.0 109.856 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.1 ttm -59.86 -39.63 85.85 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -167.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -58.68 -30.4 67.34 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.5 11.04 2.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.07 -1.019 . . . . 0.0 112.389 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.08 108.7 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.576 1.551 . . . . 0.0 107.766 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -103.55 155.94 18.15 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 119.568 -1.957 . . . . 0.0 110.623 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -136.49 120.11 17.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.565 -0.709 . . . . 0.0 110.64 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.88 151.15 30.8 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.349 -1.469 . . . . 0.0 111.269 170.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -131.43 102.04 5.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.939 -1.101 . . . . 0.0 108.129 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 54.69 71.68 0.51 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.67 1.588 . . . . 0.0 113.421 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 -57.19 3.68 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 120.407 -1.433 . . . . 0.0 114.402 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -77.19 154.9 82.4 Favored Pre-proline 0 N--CA 1.444 -0.73 0 C-N-CA 125.78 1.632 . . . . 0.0 113.305 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.6 148.87 73.28 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.26 1.973 . . . . 0.0 111.254 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.13 144.12 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 122.074 0.94 . . . . 0.0 112.926 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -88.74 140.06 29.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.541 -1.35 . . . . 0.0 108.875 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -95.61 -21.57 18.15 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.811 1.244 . . . . 0.0 111.86 -168.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.0 -38.55 20.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.123 1.369 . . . . 0.0 113.436 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.43 171.74 12.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 123.604 1.669 . . . . 0.0 114.371 -174.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.3 p -104.76 156.44 35.96 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 125.491 1.516 . . . . 0.0 109.652 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 -6.88 19.76 Favored 'Trans proline' 0 C--N 1.332 -0.338 0 CA-C-N 122.303 1.858 . . . . 0.0 112.873 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 p -72.08 -35.2 69.19 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.053 1.297 . . . . 0.0 111.845 164.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -70.38 -17.47 63.04 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 119.712 -1.867 . . . . 0.0 113.531 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.56 8.63 17.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.398 1.079 . . . . 0.0 111.198 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.307 44.7 mt-10 23.92 75.42 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.888 2.475 . . . . 0.0 117.554 -164.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.1 mmt -98.89 166.38 11.32 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.422 1.089 . . . . 0.0 111.739 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -102.71 -70.25 0.76 Allowed 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.744 -1.223 . . . . 0.0 114.041 -157.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 166.83 134.49 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.16 2.184 . . . . 0.0 107.665 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.45 22.96 78.09 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 120.423 -1.423 . . . . 0.0 113.446 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.18 137.38 48.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.584 1.153 . . . . 0.0 111.388 -170.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.2 p -93.76 118.8 31.9 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.128 -1.608 . . . . 0.0 114.874 -164.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -111.58 142.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 123.826 0.85 . . . . 0.0 109.46 170.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 148.12 26.64 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.316 -1.49 . . . . 0.0 109.808 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 t -124.05 131.03 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 122.476 1.131 . . . . 0.0 109.419 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -112.81 86.15 2.31 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 120.859 -1.151 . . . . 0.0 109.725 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 152.07 19.06 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.561 -1.337 . . . . 0.0 111.24 170.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.13 73.79 3.71 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 123.079 1.419 . . . . 0.0 113.205 170.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 70.69 -42.16 0.52 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 170.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t -109.43 153.83 23.46 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.27 -1.518 . . . . 0.0 111.246 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.21 18.4 12.23 Favored Glycine 0 C--N 1.345 1.043 0 C-N-CA 124.988 1.28 . . . . 0.0 110.814 165.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.587 0 C-N-CA 125.578 1.561 . . . . 0.0 109.809 -179.258 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 61.93 -121.69 0.73 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.897 1.679 . . . . 0.0 114.155 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -78.13 88.17 4.23 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.516 -1.365 . . . . 0.0 109.442 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -131.39 173.42 11.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 123.744 1.735 . . . . 0.0 112.255 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -78.01 7.85 5.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.053 2.541 . . . . 0.0 114.867 -175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -117.49 25.34 10.49 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.564 -1.335 . . . . 0.0 111.232 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.34 71.71 0.28 Allowed Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 171.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.48 100.34 0.22 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -166.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.29 177.14 8.16 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.59 -1.535 . . . . 0.0 111.899 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m -53.46 -55.91 21.32 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.185 1.394 . . . . 0.0 112.449 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -164.95 154.8 13.4 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 1.5 t-160 -160.17 67.31 0.36 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 120.901 1.682 . . . . 0.0 111.595 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -58.96 158.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -105.93 141.09 37.92 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.045 -1.659 . . . . 0.0 110.326 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.75 153.06 46.03 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 164.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -121.9 135.48 54.88 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.234 -0.916 . . . . 0.0 109.276 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.17 112.78 39.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 O-C-N 120.488 -1.382 . . . . 0.0 110.748 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -94.97 104.94 16.83 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.592 1.157 . . . . 0.0 109.77 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.56 129.8 9.94 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 120.196 -1.565 . . . . 0.0 111.288 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.1 -23.53 67.18 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.272 -1.134 . . . . 0.0 114.013 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.28 44.2 0.07 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.29 -1.506 . . . . 0.0 112.585 160.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 66.79 -26.78 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.335 2.654 . . . . 0.0 117.464 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.53 112.49 6.07 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.61 125.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.652 -1.28 . . . . 0.0 109.599 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -135.03 140.5 45.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.609 -1.307 . . . . 0.0 109.094 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -106.83 152.86 23.32 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.548 -1.345 . . . . 0.0 110.525 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -147.96 167.02 25.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.136 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE3' ' CG ' ' A' ' 12' ' ' HIS . 26.8 mtmt -115.11 148.1 39.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.002 -1.061 . . . . 0.0 110.265 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.8 tt -140.78 -179.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -115.57 138.41 51.08 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 119.555 -1.965 . . . . 0.0 107.683 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.2 -6.31 38.58 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.718 2.007 . . . . 0.0 113.692 -165.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.47 -23.79 67.4 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.467 1.507 . . . . 0.0 113.626 163.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.72 132.02 50.29 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 120.298 -1.501 . . . . 0.0 112.491 -166.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.15 165.09 32.79 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 CA-C-N 123.324 2.223 . . . . 0.0 112.382 170.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.03 -41.19 64.48 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 121.148 -0.97 . . . . 0.0 112.509 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -50.58 -45.88 57.53 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -55.19 -42.81 73.75 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.404 -1.435 . . . . 0.0 113.85 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.84 -45.37 82.46 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.872 -1.143 . . . . 0.0 112.028 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.7 mtm -63.06 -48.67 77.69 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 120.975 -1.078 . . . . 0.0 113.875 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -61.45 -35.05 76.51 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.437 -0.789 . . . . 0.0 113.065 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.64 55.26 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.537 -1.352 . . . . 0.0 112.823 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -60.71 -48.31 82.36 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.358 -1.464 . . . . 0.0 114.507 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.818 -1.177 . . . . 0.0 113.636 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.54 -26.63 60.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -69.34 -41.57 76.46 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.089 -2.257 . . . . 0.0 111.866 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.0 38.96 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.717 170.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.15 47.24 0.89 Allowed Glycine 0 CA--C 1.499 -0.934 0 C-N-CA 125.293 1.425 . . . . 0.0 111.311 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.64 165.76 25.59 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.285 -1.126 . . . . 0.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -89.97 129.84 36.25 Favored 'General case' 0 CA--C 1.506 -0.73 0 O-C-N 120.853 -1.154 . . . . 0.0 111.598 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.16 -33.4 67.38 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.93 -24.69 54.45 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.64 -24.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 119.675 -1.891 . . . . 0.0 111.809 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.49 103.03 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 126.223 1.809 . . . . 0.0 110.448 -170.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.97 102.35 13.35 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.394 -2.067 . . . . 0.0 111.817 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -89.02 144.38 26.2 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.629 1.171 . . . . 0.0 112.243 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -137.67 153.72 49.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 121.094 -1.004 . . . . 0.0 110.043 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -139.78 136.54 34.2 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.432 -1.418 . . . . 0.0 109.132 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.01 36.14 21.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 123.321 1.534 . . . . 0.0 113.852 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 -30.75 6.21 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.57 -1.331 . . . . 0.0 114.367 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -112.55 163.22 18.37 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.294 -1.121 . . . . 0.0 112.331 -159.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.1 168.09 25.65 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.879 2.386 . . . . 0.0 111.228 170.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 tp -137.02 138.48 45.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-O 122.617 1.198 . . . . 0.0 111.849 -174.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -79.83 121.63 25.64 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.83 -1.169 . . . . 0.0 110.928 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -74.99 -6.41 49.2 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -167.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -77.15 -30.52 55.08 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.633 1.173 . . . . 0.0 113.563 -175.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -74.78 168.31 20.11 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.837 1.303 . . . . 0.0 113.147 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.2 p -113.37 153.87 45.51 Favored Pre-proline 0 C--O 1.234 0.28 0 O-C-N 120.299 -1.501 . . . . 0.0 111.074 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.52 -8.32 20.46 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 121.836 1.691 . . . . 0.0 112.178 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 p -71.73 -31.11 66.35 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.318 1.847 . . . . 0.0 111.907 169.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -51.78 15.74 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.764 1.269 . . . . 0.0 110.67 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.26 -43.98 97.99 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.788 1.635 . . . . 0.0 114.175 -176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.26 47.4 mt-10 69.52 46.92 0.7 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.018 1.327 . . . . 0.0 111.508 -169.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 ptp -76.59 160.7 29.2 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.769 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -110.25 164.43 12.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 123.246 1.498 . . . . 0.0 111.053 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.42 55.14 0.23 Allowed 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 119.383 -2.073 . . . . 0.0 113.962 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.66 17.19 0.05 OUTLIER Glycine 0 CA--C 1.498 -0.973 0 O-C-N 119.8 -1.813 . . . . 0.0 114.697 171.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -85.3 135.14 34.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.783 1.292 . . . . 0.0 114.242 -159.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -84.39 118.83 24.5 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.961 1.304 . . . . 0.0 113.493 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -97.58 138.55 22.12 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.961 -1.087 . . . . 0.0 109.059 163.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 145.13 26.75 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.49 -1.381 . . . . 0.0 109.644 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.7 107.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 122.725 1.25 . . . . 0.0 109.539 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -85.03 95.08 8.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.716 1.207 . . . . 0.0 110.742 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.3 158.67 26.07 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 124.761 1.224 . . . . 0.0 112.547 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -135.67 62.78 1.62 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.765 -1.209 . . . . 0.0 111.529 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.56 -72.49 0.1 Allowed 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -72.16 91.56 1.29 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.92 1.688 . . . . 0.0 113.386 -165.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.5 47.71 0.34 Allowed Glycine 0 C--N 1.349 1.274 0 O-C-N 120.322 -1.486 . . . . 0.0 112.934 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.635 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -178.723 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.868 -0.587 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -124.02 -95.51 0.47 Allowed 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 168.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.63 -105.97 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.473 1.109 . . . . 0.0 112.815 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.87 -38.44 15.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.073 -1.642 . . . . 0.0 109.415 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.52 49.73 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 124.029 1.871 . . . . 0.0 113.852 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -101.73 158.7 15.92 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.655 1.182 . . . . 0.0 109.391 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.28 109.81 0.41 Allowed Glycine 0 CA--C 1.489 -1.593 0 O-C-N 120.065 -1.647 . . . . 0.0 110.954 -169.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.8 69.16 0.08 OUTLIER Glycine 0 CA--C 1.494 -1.229 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -146.18 167.19 24.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 121.715 -0.873 . . . . 0.0 109.1 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -150.57 -61.88 0.19 Allowed 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.255 -0.903 . . . . 0.0 110.84 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.76 159.03 43.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.631 -1.293 . . . . 0.0 110.317 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -168.94 103.39 0.39 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.039 1.335 . . . . 0.0 108.819 -166.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 pt -99.04 152.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 119.651 -1.905 . . . . 0.0 112.843 -164.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -91.43 132.95 35.88 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.16 0.984 . . . . 0.0 112.465 -172.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 138.17 49.13 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.12 1.368 . . . . 0.0 107.936 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -118.55 117.07 27.99 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.15 -1.594 . . . . 0.0 111.99 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.69 119.63 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 120.577 -1.327 . . . . 0.0 109.565 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.93 100.58 10.12 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.135 0.974 . . . . 0.0 110.411 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.1 139.28 15.59 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 120.171 -1.58 . . . . 0.0 113.878 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -68.67 -7.7 35.76 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.291 -1.711 . . . . 0.0 113.564 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.78 -3.29 43.64 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.347 -2.096 . . . . 0.0 112.716 166.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 93.77 2.01 0.07 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 129.85 3.26 . . . . 0.0 111.874 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 121.95 25.72 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.762 -1.837 . . . . 0.0 112.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -114.9 109.76 29.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.932 -1.105 . . . . 0.0 109.216 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.51 130.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 O-C-N 120.797 -1.189 . . . . 0.0 110.676 -171.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -97.52 127.69 43.68 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.542 -1.349 . . . . 0.0 112.079 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -116.78 -175.26 2.73 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.359 1.464 . . . . 0.0 108.736 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -146.15 133.0 20.09 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 119.832 -1.792 . . . . 0.0 111.756 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.82 138.22 49.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 O-C-N 120.263 -1.523 . . . . 0.0 111.527 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -72.07 109.65 6.01 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.289 -2.132 . . . . 0.0 109.34 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -72.26 49.74 0.2 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -140.2 -48.63 0.45 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.3 2.24 . . . . 0.0 107.043 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -76.88 128.08 82.35 Favored Pre-proline 0 C--N 1.347 0.49 0 CA-C-O 117.089 -1.434 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.13 176.25 9.81 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.596 2.197 . . . . 0.0 113.436 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 35' ' ' LEU . 2.4 mm? -51.82 -36.24 47.23 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.773 2.429 . . . . 0.0 114.73 -169.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -41.7 -47.09 3.94 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.597 1.959 . . . . 0.0 115.543 172.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -62.09 -38.48 89.0 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.683 -1.261 . . . . 0.0 112.706 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.23 -55.88 6.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.351 -0.843 . . . . 0.0 110.923 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.3 mtm -67.75 -34.08 76.13 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -172.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.38 -44.5 71.35 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.025 -1.672 . . . . 0.0 110.413 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.71 98.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.793 -1.817 . . . . 0.0 114.315 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.44 8.46 5.1 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.02 -70.03 0.66 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.616 -1.302 . . . . 0.0 108.905 156.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.83 -50.69 71.27 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -170.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -86.0 9.08 18.12 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.477 -1.39 . . . . 0.0 112.758 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.97 -48.28 5.48 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 121.095 -1.003 . . . . 0.0 109.339 159.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.52 29.41 1.18 Allowed Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.494 1.521 . . . . 0.0 113.515 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -135.12 -175.45 3.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.756 1.223 . . . . 0.0 108.762 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.7 m -134.03 164.07 28.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 108.989 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -31.95 31.3 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 120.138 -1.601 . . . . 0.0 112.01 -171.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -54.51 -20.44 7.77 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.82 -0.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 119.989 -1.694 . . . . 0.0 113.788 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.5 t -107.14 142.12 20.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.701 -1.249 . . . . 0.0 109.259 -177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.15 137.99 50.62 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 119.359 -2.088 . . . . 0.0 107.937 167.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.18 151.98 36.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 120.498 -1.376 . . . . 0.0 111.513 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.6 150.8 45.43 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.44 -0.787 . . . . 0.0 111.511 177.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -127.81 129.91 47.79 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 57.94 24.06 10.57 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 123.882 1.801 . . . . 0.0 113.177 -168.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -0.31 82.8 Favored Glycine 0 C--N 1.349 1.251 0 O-C-N 119.467 -2.02 . . . . 0.0 114.775 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -111.8 155.26 43.45 Favored Pre-proline 0 N--CA 1.451 -0.396 0 O-C-N 120.772 -1.428 . . . . 0.0 112.36 -175.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.92 105.01 1.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.512 2.141 . . . . 0.0 111.711 166.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.5 162.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 125.186 1.394 . . . . 0.0 110.986 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -82.71 158.01 23.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.445 -2.034 . . . . 0.0 112.454 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -32.2 34.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 119.831 -1.793 . . . . 0.0 111.356 169.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.57 35.71 1.11 Allowed 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 120.422 -1.424 . . . . 0.0 111.113 168.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.92 170.89 15.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 119.706 -1.871 . . . . 0.0 112.242 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.4 p -116.99 133.14 23.14 Favored Pre-proline 0 C--N 1.344 0.334 0 O-C-N 121.096 -1.002 . . . . 0.0 110.531 -169.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.98 20.77 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.944 2.43 . . . . 0.0 113.312 -168.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -73.82 -42.78 60.41 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.637 -1.29 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 m -71.63 -7.04 45.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.561 -1.337 . . . . 0.0 114.07 177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.79 -7.77 59.63 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.757 1.223 . . . . 0.0 111.399 175.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 63.99 17.82 10.83 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.17 1.388 . . . . 0.0 114.081 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . 0.375 18.6 ptp 42.86 58.14 3.33 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -161.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.88 -169.95 2.83 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.828 -1.17 . . . . 0.0 110.899 169.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.14 158.35 42.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 120.645 -1.284 . . . . 0.0 108.648 162.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.97 27.79 13.2 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 120.637 -1.289 . . . . 0.0 111.15 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.04 102.69 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 130.311 3.444 . . . . 0.0 114.456 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 p -82.88 100.93 10.67 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.306 -1.496 . . . . 0.0 113.18 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 tt -98.46 125.1 51.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 122.403 1.097 . . . . 0.0 109.908 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 138.76 31.31 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.056 -1.652 . . . . 0.0 110.599 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -126.99 129.32 71.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.067 0.937 . . . . 0.0 113.113 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -117.7 161.13 20.18 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.78 1.632 . . . . 0.0 108.666 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -128.95 171.74 12.03 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 123.133 1.444 . . . . 0.0 114.057 -161.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.05 168.39 20.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.334 1.054 . . . . 0.0 112.482 168.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -76.28 144.26 40.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.262 -1.524 . . . . 0.0 111.681 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -66.18 -42.26 89.15 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.167 -1.583 . . . . 0.0 113.243 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.4 -160.31 33.91 Favored Glycine 0 CA--C 1.496 -1.141 0 N-CA-C 107.616 -2.193 . . . . 0.0 107.616 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.729 0 C-N-CA 125.604 1.573 . . . . 0.0 109.736 170.546 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -76.98 163.56 26.6 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.274 -0.892 . . . . 0.0 108.988 161.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -80.71 71.16 7.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 123.368 1.556 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.96 -69.75 0.63 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.778 1.231 . . . . 0.0 108.545 167.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -90.58 -55.52 3.55 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.865 -1.147 . . . . 0.0 113.817 -173.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 116.06 19.15 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.99 -1.694 . . . . 0.0 112.796 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.23 -99.39 0.14 Allowed Glycine 0 CA--C 1.496 -1.122 0 O-C-N 119.978 -1.701 . . . . 0.0 111.714 -173.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 92.76 1.03 Allowed Glycine 0 C--N 1.345 1.063 0 C-N-CA 124.7 1.143 . . . . 0.0 112.328 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.93 -100.29 0.31 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.345 0.658 . . . . 0.0 110.613 -172.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.388 68.1 p 69.85 -117.15 0.12 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.938 -1.726 . . . . 0.0 113.61 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -95.93 88.56 4.94 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 120.298 -1.501 . . . . 0.0 114.417 -170.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -120.42 163.08 18.44 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.312 -1.493 . . . . 0.0 114.152 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.09 169.52 20.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 108.258 161.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -136.02 86.56 2.24 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.164 -0.96 . . . . 0.0 110.994 -164.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.9 140.73 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 122.644 1.211 . . . . 0.0 114.095 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -114.58 103.84 11.41 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 126.671 1.989 . . . . 0.0 107.862 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -104.42 109.4 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 120.975 -1.078 . . . . 0.0 110.123 -170.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.82 100.87 10.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.782 -1.199 . . . . 0.0 110.686 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.43 121.39 9.93 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 120.904 -1.123 . . . . 0.0 111.201 169.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.79 -12.1 61.35 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.704 1.24 . . . . 0.0 114.086 -173.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -73.33 -21.81 60.46 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.253 2.221 . . . . 0.0 112.74 167.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 108.9 13.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 1 C-N-CA 131.709 4.003 . . . . 0.0 110.39 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 74.65 10.09 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.074 -1.641 . . . . 0.0 112.373 172.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.97 109.99 13.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 O-C-N 119.644 -1.91 . . . . 0.0 111.217 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.11 175.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.779 -1.201 . . . . 0.0 110.696 -175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.37 159.77 34.21 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 119.816 -1.802 . . . . 0.0 110.155 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -164.29 -171.44 2.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.055 0.542 . . . . 0.0 109.62 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -129.53 153.19 48.27 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.829 -1.169 . . . . 0.0 110.878 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.9 tt -134.35 161.25 40.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -83.65 144.76 29.19 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.315 -1.491 . . . . 0.0 108.34 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -67.95 -24.97 65.23 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.572 -1.955 . . . . 0.0 114.057 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -27.61 61.65 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.95 1.3 . . . . 0.0 114.221 176.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -96.15 141.71 23.53 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 119.551 -1.968 . . . . 0.0 112.36 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.14 162.08 26.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.608 1.539 . . . . 0.0 112.172 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.33 -34.38 78.19 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.778 1.231 . . . . 0.0 113.067 -170.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -50.77 -41.49 56.9 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.48 1.512 . . . . 0.0 114.567 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.982 1.313 . . . . 0.0 113.038 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.33 -34.63 23.65 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.38 -1.45 . . . . 0.0 111.98 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.8 mmt -56.65 -46.45 81.03 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.08 -1.638 . . . . 0.0 113.028 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -67.56 -17.48 64.66 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.23 -56.1 4.95 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.619 -1.926 . . . . 0.0 111.306 168.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -34.86 79.46 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.04 -62.35 1.72 Allowed 'General case' 0 C--N 1.354 0.766 0 O-C-N 121.235 -0.915 . . . . 0.0 112.964 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.77 -28.54 62.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.234 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 119.828 -1.795 . . . . 0.0 113.403 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -45.35 52.57 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.413 1.085 . . . . 0.0 111.77 171.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 41.67 2.51 Favored Glycine 0 C--N 1.345 1.083 0 C-N-CA 125.164 1.364 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.94 -173.95 2.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 121.238 -1.154 . . . . 0.0 110.875 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 m -130.67 151.03 51.57 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.329 -1.482 . . . . 0.0 109.828 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.7 ttm -68.18 -36.35 79.46 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -166.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.63 4.78 0.97 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.42 -10.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 119.542 -1.974 . . . . 0.0 112.09 166.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -107.91 97.44 5.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.344 1.058 . . . . 0.0 109.823 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -114.26 112.4 23.06 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.432 -1.418 . . . . 0.0 112.166 -170.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -86.21 147.2 26.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.999 1.319 . . . . 0.0 113.475 -176.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -139.38 135.26 33.49 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.884 -1.135 . . . . 0.0 109.17 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -133.88 128.29 34.31 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.461 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 65.88 9.88 6.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.637 1.575 . . . . 0.0 113.517 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.88 -11.19 59.02 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 119.463 -2.023 . . . . 0.0 112.441 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -111.92 168.67 7.29 Favored Pre-proline 0 N--CA 1.451 -0.416 0 O-C-N 121.056 -1.261 . . . . 0.0 111.699 -171.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.36 165.84 31.5 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.975 1.783 . . . . 0.0 110.612 156.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -136.58 145.14 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -96.79 139.12 33.31 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.397 -1.439 . . . . 0.0 109.623 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -73.71 -6.24 45.61 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 -170.766 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -80.12 -32.58 39.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.532 1.533 . . . . 0.0 114.336 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -76.64 128.49 34.8 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.002 -1.061 . . . . 0.0 112.921 -171.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.4 p -95.06 154.89 39.52 Favored Pre-proline 0 C--N 1.348 0.513 0 O-C-N 120.444 -1.41 . . . . 0.0 110.373 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.27 -8.1 21.44 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.884 1.723 . . . . 0.0 112.448 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 p -70.83 -51.85 24.1 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.898 1.681 . . . . 0.0 111.004 163.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.4 m -66.85 -35.28 79.68 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.562 -1.337 . . . . 0.0 113.173 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.98 -8.65 59.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 33.96 20.95 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.993 1.717 . . . . 0.0 115.522 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.3 mmt -83.89 165.61 18.58 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.522 -1.986 . . . . 0.0 115.621 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.63 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.9 1.68 . . . . 0.0 113.47 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.54 155.96 20.32 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.08 -1.012 . . . . 0.0 110.794 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.68 45.95 1.17 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 125.308 1.432 . . . . 0.0 110.212 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.74 103.78 16.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 124.817 1.247 . . . . 0.0 113.831 -139.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.4 p -86.19 129.61 34.79 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.764 -1.835 . . . . 0.0 114.812 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.06 147.64 15.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -110.13 154.4 23.35 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 119.43 -2.044 . . . . 0.0 112.924 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.69 126.96 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-O 123.451 1.596 . . . . 0.0 111.785 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -91.95 98.85 11.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.088 -1.632 . . . . 0.0 109.434 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -109.97 157.53 19.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 162.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.51 -167.4 1.56 Allowed 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.028 -1.045 . . . . 0.0 109.516 173.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.67 -43.05 80.01 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.117 -1.614 . . . . 0.0 114.089 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.9 m 68.5 75.34 0.26 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.902 1.281 . . . . 0.0 114.141 164.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.53 -49.02 0.05 OUTLIER Glycine 0 C--N 1.348 1.235 0 O-C-N 120.34 -1.475 . . . . 0.0 115.163 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.676 0 O-C-N 120.975 -1.309 . . . . 0.0 112.433 -175.069 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.322 -0.371 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m 53.55 27.14 6.28 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 42.68 35.75 0.73 Allowed 'General case' 0 C--N 1.35 0.6 0 C-N-CA 128.397 2.679 . . . . 0.0 117.372 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.22 121.74 13.88 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.565 -1.335 . . . . 0.0 112.037 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm 65.1 22.19 12.28 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.738 1.615 . . . . 0.0 114.24 -173.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -125.51 -161.85 1.07 Allowed 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.211 -1.555 . . . . 0.0 109.595 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 163.64 28.87 Favored Glycine 0 CA--C 1.499 -0.918 0 N-CA-C 107.107 -2.397 . . . . 0.0 107.107 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.0 65.93 2.85 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 120.843 -1.387 . . . . 0.0 113.318 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -128.31 115.73 18.74 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.436 -1.626 . . . . 0.0 114.27 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.7 m -80.73 -81.93 0.12 Allowed 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.429 1.092 . . . . 0.0 111.896 175.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.47 121.2 39.1 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.989 -1.694 . . . . 0.0 114.81 -163.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -153.9 -174.6 5.02 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.098 -1.626 . . . . 0.0 109.637 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -129.98 161.22 40.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.867 0.841 . . . . 0.0 109.414 164.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.71 153.41 18.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.462 1.905 . . . . 0.0 110.615 169.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.35 144.91 44.87 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.227 -0.92 . . . . 0.0 110.938 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -108.88 115.66 30.51 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.688 -1.257 . . . . 0.0 110.942 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -109.13 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-O 121.95 0.881 . . . . 0.0 109.728 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.37 103.33 15.98 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.344 -1.472 . . . . 0.0 111.583 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 124.49 7.08 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.475 -1.39 . . . . 0.0 114.611 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.25 -34.95 24.88 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.96 -5.61 39.78 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.367 -1.458 . . . . 0.0 114.795 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.293 22.8 m120 98.9 -7.62 0.04 OUTLIER 'General case' 0 C--N 1.349 0.563 0 C-N-CA 129.381 3.072 . . . . 0.0 113.452 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.19 75.61 3.75 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 119.933 -1.729 . . . . 0.0 112.585 170.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -79.54 127.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 C-N-CA 125.784 1.634 . . . . 0.0 109.716 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.22 153.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 CA-C-O 122.786 1.279 . . . . 0.0 112.314 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.76 122.78 47.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.708 -1.245 . . . . 0.0 109.845 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -107.22 166.3 10.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.571 1.176 . . . . 0.0 110.157 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -130.71 137.87 49.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 tt -143.49 140.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 O-C-N 120.716 -1.24 . . . . 0.0 110.152 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -78.32 139.37 38.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.319 -1.488 . . . . 0.0 109.213 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -62.9 -31.62 72.72 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -159.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -78.98 -12.03 60.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.4 m -84.17 125.95 71.06 Favored Pre-proline 0 C--N 1.344 0.353 0 O-C-N 120.215 -1.553 . . . . 0.0 111.5 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.35 149.83 51.5 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 CA-C-N 122.818 2.042 . . . . 0.0 111.987 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.0 -45.08 83.27 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.823 1.249 . . . . 0.0 112.933 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -38.83 -48.66 1.56 Allowed 'General case' 0 C--N 1.343 0.31 0 C-N-CA 128.254 2.621 . . . . 0.0 117.186 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.126 -0.983 . . . . 0.0 112.685 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -91.7 -52.32 4.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.504 -1.373 . . . . 0.0 110.198 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -50.03 75.29 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.184 1.394 . . . . 0.0 113.478 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -68.64 -24.57 64.56 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.417 -1.427 . . . . 0.0 113.329 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.26 77.74 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.564 -1.335 . . . . 0.0 112.185 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -67.19 -35.54 79.85 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.78 -1.825 . . . . 0.0 112.688 167.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.3 m -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.504 -1.372 . . . . 0.0 113.701 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -59.49 -48.84 80.11 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.378 1.071 . . . . 0.0 113.357 169.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -63.04 -43.93 97.32 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.463 1.105 . . . . 0.0 113.487 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.76 63.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.566 -1.334 . . . . 0.0 112.137 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.43 51.49 1.31 Allowed Glycine 0 C--N 1.345 1.075 0 C-N-CA 125.18 1.371 . . . . 0.0 110.851 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -148.54 -178.15 6.17 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 121.156 -1.202 . . . . 0.0 112.37 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.8 m -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.877 -1.139 . . . . 0.0 110.433 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.46 4.0 12.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.259 1.504 . . . . 0.0 114.068 -178.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.92 -63.55 1.06 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.66 1.984 . . . . 0.0 111.034 162.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.2 -41.4 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.551 1.14 . . . . 0.0 112.789 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.33 129.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 O-C-N 121.028 -1.045 . . . . 0.0 109.78 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -113.08 173.59 6.32 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.22 -1.55 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.69 159.44 44.52 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.902 -1.749 . . . . 0.0 112.521 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -139.94 149.54 43.43 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.622 1.169 . . . . 0.0 109.191 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -113.86 111.48 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.87 28.87 16.69 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.005 1.383 . . . . 0.0 113.656 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.08 60.8 Favored Glycine 0 C--N 1.357 1.715 0 O-C-N 120.376 -1.452 . . . . 0.0 114.338 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -112.42 162.95 19.09 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 120.651 -1.5 . . . . 0.0 113.274 -163.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.86 108.2 2.04 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 122.776 2.318 . . . . 0.0 114.372 173.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -84.31 157.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.517 162.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -106.75 144.66 33.09 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 119.96 -1.713 . . . . 0.0 110.462 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.24 -17.01 63.12 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.385 -2.072 . . . . 0.0 114.635 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -79.6 -11.0 59.89 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 119.908 -1.745 . . . . 0.0 113.641 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -68.88 159.7 32.07 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 122.706 1.241 . . . . 0.0 112.796 -175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.37 140.6 19.25 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 119.879 -1.763 . . . . 0.0 109.77 -171.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.34 -16.26 22.09 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 CA-C-N 122.051 1.768 . . . . 0.0 112.527 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.1 p -74.32 -17.68 60.81 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 120.307 1.412 . . . . 0.0 112.98 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 m -85.36 -13.43 49.51 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.691 -1.256 . . . . 0.0 111.442 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.08 -54.38 2.54 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.66 1.184 . . . . 0.0 112.648 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.268 16.7 mt-10 62.28 69.41 0.62 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.5 mmt -117.73 -122.9 0.29 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 121.061 -1.024 . . . . 0.0 111.314 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.44 -149.6 0.35 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.961 1.704 . . . . 0.0 111.196 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.32 172.71 12.77 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.907 -1.746 . . . . 0.0 110.367 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.49 34.85 11.2 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 121.061 -1.024 . . . . 0.0 112.933 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.57 153.89 32.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -163.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -106.11 101.27 10.77 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.24 1.416 . . . . 0.0 114.608 -159.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 tt -116.82 126.61 74.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.558 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.67 133.11 43.46 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.88 -1.763 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -121.19 127.37 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 123.284 1.516 . . . . 0.0 110.977 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.58 89.68 3.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.371 -1.456 . . . . 0.0 110.354 -171.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -94.46 142.51 27.35 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 162.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -101.32 -85.37 0.42 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.136 -0.977 . . . . 0.0 111.365 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -131.5 141.47 49.77 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.59 -1.319 . . . . 0.0 111.499 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -140.99 155.3 46.23 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.939 2.096 . . . . 0.0 105.353 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.61 72.72 0.55 Allowed Glycine 0 C--N 1.346 1.088 0 O-C-N 120.896 -1.127 . . . . 0.0 112.505 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.674 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.429 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.495 1.779 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 62.07 -81.93 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.922 1.289 . . . . 0.0 113.576 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.35 71.72 8.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.101 1.361 . . . . 0.0 110.367 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 45.72 -132.22 1.0 Allowed 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.037 2.535 . . . . 0.0 115.972 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -88.13 116.22 26.16 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.044 -1.66 . . . . 0.0 112.08 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -115.01 153.27 30.97 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 164.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.55 -126.09 2.14 Favored Glycine 0 CA--C 1.499 -0.932 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.37 -154.33 9.72 Favored Glycine 0 C--N 1.344 1.017 0 O-C-N 121.413 -1.051 . . . . 0.0 112.459 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.265 48.0 mt-10 63.69 90.87 0.08 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.246 1.819 . . . . 0.0 115.593 172.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -165.13 -144.68 0.08 Allowed 'General case' 0 C--N 1.342 0.256 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.47 116.03 9.42 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 119.147 -2.221 . . . . 0.0 112.477 173.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -164.14 172.65 13.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.509 -1.369 . . . . 0.0 107.335 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 pt -124.01 148.41 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.524 0.678 . . . . 0.0 110.305 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.82 150.91 22.32 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.941 -1.1 . . . . 0.0 110.018 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -128.86 142.45 50.96 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.223 -0.923 . . . . 0.0 108.658 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -107.92 138.74 43.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.756 1.222 . . . . 0.0 109.776 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.57 122.19 67.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.83 120.14 41.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 109.97 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.82 144.32 18.78 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 119.765 -1.834 . . . . 0.0 113.284 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -72.6 -28.17 62.62 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.175 -1.779 . . . . 0.0 110.588 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -26.96 62.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.112 2.565 . . . . 0.0 113.772 164.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.251 0.3 OUTLIER 93.5 24.75 0.01 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 129.285 3.034 . . . . 0.0 112.869 173.364 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 151.43 24.62 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.91 -1.119 . . . . 0.0 111.452 163.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 t -132.52 117.66 32.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 O-C-N 120.525 -1.36 . . . . 0.0 108.882 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -121.16 151.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 O-C-N 120.656 -1.277 . . . . 0.0 107.667 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.58 143.4 30.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.622 -1.924 . . . . 0.0 113.125 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -120.11 158.23 27.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.094 0.957 . . . . 0.0 112.46 -171.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -124.08 116.52 22.92 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 125.489 1.516 . . . . 0.0 108.704 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -142.93 145.33 23.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.756 -1.84 . . . . 0.0 112.432 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.09 154.01 28.36 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 119.081 -2.262 . . . . 0.0 112.27 174.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -62.64 -28.92 70.24 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -82.63 -7.23 59.66 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.626 -1.296 . . . . 0.0 114.465 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -98.34 119.54 61.48 Favored Pre-proline 0 C--N 1.346 0.423 0 O-C-N 120.205 -1.56 . . . . 0.0 109.736 -171.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.19 159.92 29.81 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 CA-C-N 123.116 2.148 . . . . 0.0 112.884 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.31 -32.6 62.91 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.433 1.093 . . . . 0.0 112.237 -171.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -47.53 -44.8 26.1 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.588 1.955 . . . . 0.0 114.817 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -38.8 86.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.181 -0.949 . . . . 0.0 112.589 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.95 -47.7 82.08 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.8 -1.187 . . . . 0.0 111.636 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.4 mmm -55.06 -57.73 10.55 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.344 1.057 . . . . 0.0 113.494 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.34 -35.85 81.77 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.661 -1.274 . . . . 0.0 113.714 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.61 87.41 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.425 -1.422 . . . . 0.0 113.593 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.77 -35.34 78.52 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.541 -1.349 . . . . 0.0 113.082 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.55 -53.58 56.5 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.72 -1.238 . . . . 0.0 113.489 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -67.16 -27.78 67.57 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -75.21 -45.29 41.37 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.121 -1.612 . . . . 0.0 113.702 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.75 -48.49 10.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.65 14.82 39.28 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 124.841 1.21 . . . . 0.0 113.937 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.08 -169.45 0.94 Allowed 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.451 1.501 . . . . 0.0 112.712 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -152.34 156.34 39.41 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 118.936 -2.353 . . . . 0.0 110.539 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -70.02 -34.41 73.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.779 -1.201 . . . . 0.0 112.683 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.07 -9.07 19.37 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.7 -5.96 10.85 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.077 -1.639 . . . . 0.0 111.96 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.27 103.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 125.141 1.376 . . . . 0.0 108.16 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 103.83 15.78 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 118.846 -2.409 . . . . 0.0 108.491 175.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.9 138.28 42.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.443 1.097 . . . . 0.0 111.432 -171.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -142.8 145.76 33.55 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.807 -1.183 . . . . 0.0 111.455 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -111.64 125.71 54.25 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 49.83 40.59 20.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 122.899 1.333 . . . . 0.0 114.322 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.42 64.37 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 119.417 -2.052 . . . . 0.0 116.068 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -124.57 162.67 41.26 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 120.73 -1.453 . . . . 0.0 111.836 -164.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.19 162.64 31.27 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.458 2.106 . . . . 0.0 111.595 171.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -148.05 154.53 10.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -103.75 151.04 23.5 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.773 -1.204 . . . . 0.0 111.362 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -19.3 11.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.592 1.957 . . . . 0.0 112.42 -170.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.08 -23.52 64.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.905 -1.747 . . . . 0.0 113.363 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -74.4 172.63 11.57 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 123.255 1.502 . . . . 0.0 112.68 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -89.52 144.9 32.72 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 126.153 1.781 . . . . 0.0 110.801 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.53 -6.76 19.84 Favored 'Trans proline' 0 C--N 1.336 -0.127 0 CA-C-N 122.892 2.068 . . . . 0.0 113.654 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -73.92 -25.91 60.24 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.008 -1.057 . . . . 0.0 112.648 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -68.11 -18.34 64.61 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.938 1.695 . . . . 0.0 114.449 -168.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.03 -19.5 23.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.494 1.518 . . . . 0.0 113.03 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 61.68 29.58 18.18 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.5 mmt -77.02 -72.03 0.37 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.234 -2.166 . . . . 0.0 113.466 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 146.09 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.879 3.271 . . . . 0.0 107.185 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -122.92 167.72 13.22 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.647 -1.283 . . . . 0.0 108.243 160.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.52 65.52 1.56 Allowed Glycine 0 C--N 1.347 1.146 0 O-C-N 120.877 -1.14 . . . . 0.0 113.248 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -71.05 154.8 41.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 163.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -140.11 64.92 1.43 Allowed 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.268 1.427 . . . . 0.0 107.518 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -80.45 127.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 O-C-N 120.949 -1.095 . . . . 0.0 111.511 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.53 132.3 39.35 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.103 -1.623 . . . . 0.0 111.598 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.4 t -116.56 124.33 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 125.1 1.36 . . . . 0.0 110.877 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 104.03 14.52 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.419 -1.425 . . . . 0.0 108.252 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.82 144.69 31.88 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.589 -1.32 . . . . 0.0 111.598 171.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.23 142.8 48.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.641 -1.287 . . . . 0.0 111.369 -174.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER 65.71 -141.85 0.19 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.842 1.657 . . . . 0.0 114.281 -176.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.1 t -99.67 151.06 21.64 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.944 -1.722 . . . . 0.0 109.153 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.85 -144.64 8.51 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 169.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.82 0 C-N-CA 124.96 1.267 . . . . 0.0 110.98 177.107 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -86.62 -92.41 0.1 Allowed 'General case' 0 C--N 1.35 0.587 0 O-C-N 119.919 -1.738 . . . . 0.0 110.547 -167.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.3 -50.17 8.65 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 123.377 1.56 . . . . 0.0 107.009 168.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -80.48 170.73 15.96 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 130.528 3.531 . . . . 0.0 116.662 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt 48.06 91.16 0.02 OUTLIER 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.575 2.75 . . . . 0.0 116.94 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -175.5 173.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.49 109.73 1.08 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.561 1.073 . . . . 0.0 115.014 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.92 -177.75 16.65 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 163.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.447 1.5 pm0 43.62 155.58 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 -175.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m -92.05 -82.0 0.32 Allowed 'General case' 0 N--CA 1.472 0.633 0 O-C-N 118.563 -2.585 . . . . 0.0 117.225 -152.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.24 127.0 32.17 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 -153.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -126.19 155.4 41.84 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.525 -1.359 . . . . 0.0 112.571 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 pt -113.81 -153.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 111.266 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.16 83.12 1.56 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.737 -1.852 . . . . 0.0 110.883 -165.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.29 126.14 30.46 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.92 -1.112 . . . . 0.0 111.164 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -111.02 103.95 12.46 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.46 102.56 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.73 94.39 9.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.911 -1.118 . . . . 0.0 109.746 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.18 118.17 6.2 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 120.961 -1.087 . . . . 0.0 112.03 173.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -11.32 60.71 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.834 -1.392 . . . . 0.0 112.898 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -77.63 0.73 22.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.927 1.691 . . . . 0.0 112.496 167.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 99.51 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.228 3.411 . . . . 0.0 111.278 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.32 81.26 8.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.441 -1.412 . . . . 0.0 113.4 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -80.7 118.34 28.26 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 O-C-N 120.264 -1.523 . . . . 0.0 109.708 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.84 162.18 40.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 O-C-N 120.654 -1.279 . . . . 0.0 108.79 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -154.65 152.77 30.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 119.614 -1.929 . . . . 0.0 111.527 -173.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -165.09 166.8 18.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.784 0.802 . . . . 0.0 109.982 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -106.65 122.25 45.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.136 -1.602 . . . . 0.0 111.719 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 tt -98.55 150.33 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.008 -1.683 . . . . 0.0 109.026 172.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -77.11 136.13 38.61 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.706 -1.246 . . . . 0.0 109.274 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -68.54 -18.67 64.41 Favored 'General case' 0 C--N 1.347 0.5 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 -166.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -12.31 59.56 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 121.026 -1.047 . . . . 0.0 112.649 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.4 m -91.04 123.12 65.5 Favored Pre-proline 0 C--N 1.346 0.436 0 O-C-N 120.631 -1.293 . . . . 0.0 110.747 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.37 158.6 48.08 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 122.79 2.032 . . . . 0.0 112.486 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.11 -36.89 72.31 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 123.557 0.743 . . . . 0.0 112.911 -170.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -47.68 -44.91 27.82 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.5 -44.15 95.15 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.877 -1.139 . . . . 0.0 112.901 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.07 -45.99 89.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.734 -1.228 . . . . 0.0 112.215 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.9 -48.45 81.38 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.903 -1.123 . . . . 0.0 113.381 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -66.15 -42.2 89.35 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.54 -1.35 . . . . 0.0 112.747 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.89 78.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.784 -1.197 . . . . 0.0 113.819 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.3 -45.03 77.72 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.646 -1.284 . . . . 0.0 113.327 170.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.5 m -53.49 -46.57 70.06 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.581 -1.324 . . . . 0.0 113.147 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.93 -54.76 18.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.652 1.581 . . . . 0.0 113.84 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -76.98 -28.79 55.24 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.077 -1.64 . . . . 0.0 113.959 -172.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.15 -36.57 30.05 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.958 -1.714 . . . . 0.0 111.651 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.8 73.77 1.28 Allowed Glycine 0 C--N 1.348 1.22 0 C-N-CA 124.567 1.08 . . . . 0.0 112.13 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.08 -172.0 4.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.848 1.259 . . . . 0.0 109.155 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -128.01 157.75 39.78 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.884 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.5 ttm -79.66 -0.38 33.71 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.492 -2.005 . . . . 0.0 113.866 -171.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -71.53 -42.99 67.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 119.694 -1.879 . . . . 0.0 113.132 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.53 -22.03 7.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 O-C-N 120.794 -1.191 . . . . 0.0 112.632 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.18 103.01 14.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 124.596 1.158 . . . . 0.0 109.072 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -108.82 132.94 53.52 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.472 -1.392 . . . . 0.0 110.279 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -118.31 149.96 40.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.863 -1.148 . . . . 0.0 113.038 -170.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -142.15 161.03 39.05 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.582 1.153 . . . . 0.0 108.579 168.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -123.65 125.81 45.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t70 50.34 41.88 25.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 114.295 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.68 -20.9 44.24 Favored Glycine 0 C--N 1.353 1.496 0 O-C-N 120.292 -1.505 . . . . 0.0 116.343 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -120.14 150.17 50.74 Favored Pre-proline 0 C--N 1.351 0.674 0 CA-C-N 119.566 1.683 . . . . 0.0 113.888 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.33 110.33 2.64 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.93 2.42 . . . . 0.0 112.729 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 tt -85.7 155.03 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 122.278 1.037 . . . . 0.0 113.012 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -74.68 141.38 44.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.66 -1.275 . . . . 0.0 110.562 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -19.32 19.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.516 -1.365 . . . . 0.0 113.279 -172.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -74.48 -27.52 60.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.478 -1.389 . . . . 0.0 114.485 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.16 174.22 11.77 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 119.902 -1.749 . . . . 0.0 115.23 -171.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.58 47.54 Favored Pre-proline 0 C--N 1.346 0.418 0 C-N-CA 126.219 1.808 . . . . 0.0 112.07 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -5.19 16.54 Favored 'Trans proline' 0 N--CA 1.471 0.17 0 C-N-CA 122.961 2.441 . . . . 0.0 113.47 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 p -73.08 -30.94 64.05 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.194 0.998 . . . . 0.0 111.361 163.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -66.26 -35.71 81.11 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.111 -1.618 . . . . 0.0 112.517 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.57 6.61 48.37 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.249 -0.907 . . . . 0.0 111.72 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.251 36.3 mt-10 41.8 59.77 2.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 127.387 2.275 . . . . 0.0 115.851 -176.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.08 169.39 10.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 -168.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.81 -117.66 0.02 OUTLIER 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.053 2.141 . . . . 0.0 111.712 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.38 152.44 27.56 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 125.496 1.518 . . . . 0.0 106.904 166.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.43 56.53 0.26 Allowed Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -97.59 93.16 6.27 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.083 0.944 . . . . 0.0 110.105 -151.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 48.9 p -83.4 99.25 9.94 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -170.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.8 tt -104.47 129.72 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 124.419 1.088 . . . . 0.0 108.77 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.98 140.94 29.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.679 -1.888 . . . . 0.0 109.077 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.85 114.72 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 122.925 1.345 . . . . 0.0 109.181 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -85.84 112.8 21.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 124.557 1.143 . . . . 0.0 108.441 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.19 142.16 47.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.282 1.433 . . . . 0.0 108.986 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -148.45 168.44 22.67 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 67.55 23.48 8.9 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 0.0 113.213 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 p -73.54 153.55 40.23 Favored 'General case' 0 C--N 1.343 0.312 0 O-C-N 120.188 -1.57 . . . . 0.0 112.835 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.47 -149.65 22.86 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 120.803 -1.186 . . . . 0.0 113.078 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.697 0 C-N-CA 125.368 1.461 . . . . 0.0 110.45 179.012 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 122.656 1.217 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.471 ' CD2' ' HZ3' ' A' ' 28' ' ' LYS . 22.9 p80 -140.22 161.33 37.92 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.412 1.101 . . . . 0.0 112.065 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.72 151.92 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 125.271 1.428 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.95 143.06 32.29 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.64 134.05 55.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 108.533 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -108.34 120.79 43.4 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.65 116.51 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 O-C-N 120.916 -1.115 . . . . 0.0 109.058 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.93 118.59 36.92 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.252 1.025 . . . . 0.0 111.525 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.11 144.25 29.53 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.576 -1.952 . . . . 0.0 111.974 171.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.74 -38.41 60.85 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 126.964 2.105 . . . . 0.0 113.822 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -67.38 -92.39 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 127.7 2.4 . . . . 0.0 113.735 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.9 -6.47 0.12 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.437 1.895 . . . . 0.0 111.621 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.61 124.75 29.24 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.447 -2.033 . . . . 0.0 113.574 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -126.46 133.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 O-C-N 120.381 -1.449 . . . . 0.0 108.528 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.48 167.36 26.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 109.678 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -141.46 136.45 31.29 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.043 -1.661 . . . . 0.0 112.542 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -120.64 171.95 8.21 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.226 1.41 . . . . 0.0 111.397 -172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HZ3' ' CD2' ' A' ' 12' ' ' HIS . 18.9 ttpp -136.52 133.1 36.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.002 1.321 . . . . 0.0 108.924 -174.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tt -151.24 156.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.817 -1.177 . . . . 0.0 110.423 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -71.79 147.1 47.58 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 119.734 -1.854 . . . . 0.0 111.626 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.56 -21.63 64.53 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.868 -1.77 . . . . 0.0 114.694 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -75.96 -42.04 49.66 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.075 1.35 . . . . 0.0 113.52 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -76.28 144.49 74.84 Favored Pre-proline 0 C--N 1.342 0.253 0 O-C-N 120.454 -1.404 . . . . 0.0 114.083 -165.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.9 161.54 43.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.461 2.107 . . . . 0.0 111.245 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.05 -19.96 53.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -164.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -56.62 -41.94 77.95 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -77.08 -6.05 51.28 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 121.094 -1.004 . . . . 0.0 113.583 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -90.2 -51.85 5.24 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.101 -0.999 . . . . 0.0 109.255 163.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 88.7 mtp -54.97 -63.75 1.05 Allowed 'General case' 0 C--N 1.354 0.776 0 C-N-CA 125.578 1.551 . . . . 0.0 114.655 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.6 -30.37 70.64 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.456 -1.402 . . . . 0.0 111.655 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.1 83.17 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.045 -1.034 . . . . 0.0 113.733 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -67.57 -36.56 81.18 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.512 0.725 . . . . 0.0 112.78 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -58.03 -43.62 86.88 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.281 -1.512 . . . . 0.0 114.207 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.98 -49.53 61.13 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.261 1.024 . . . . 0.0 113.462 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.89 -1.756 . . . . 0.0 113.772 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.1 -48.65 15.55 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.097 -1.627 . . . . 0.0 112.421 165.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.0 0.87 Allowed Glycine 0 C--N 1.348 1.243 0 C-N-CA 125.647 1.594 . . . . 0.0 112.686 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.17 168.63 19.3 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 m -100.48 134.28 43.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.699 -1.251 . . . . 0.0 112.924 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -18.18 54.15 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -66.17 -18.18 65.18 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.977 -1.702 . . . . 0.0 115.302 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.06 -20.47 6.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.567 0 O-C-N 120.515 -1.365 . . . . 0.0 112.301 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.6 t -93.15 86.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.398 -1.439 . . . . 0.0 109.684 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -92.1 104.66 17.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.552 -1.343 . . . . 0.0 112.643 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -97.2 145.9 25.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.95 -1.094 . . . . 0.0 113.041 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -142.3 142.11 32.49 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.096 -1.002 . . . . 0.0 110.907 171.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.89 132.09 56.75 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.527 1.931 . . . . 0.0 106.495 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t0 57.3 27.65 14.04 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.41 1.576 . . . . 0.0 112.835 -177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.1 16.98 67.39 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 119.938 -1.726 . . . . 0.0 115.624 -170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -129.8 161.15 61.21 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 109.935 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.85 160.35 37.43 Favored 'Trans proline' 0 C--N 1.331 -0.368 0 CA-C-N 122.483 1.923 . . . . 0.0 112.432 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.2 tt -140.6 164.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -128.77 178.6 6.23 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.054 -1.654 . . . . 0.0 110.071 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.63 -20.02 47.78 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.425 -1.422 . . . . 0.0 114.62 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -78.23 -34.0 49.48 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.739 0.816 . . . . 0.0 112.533 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.63 101.92 1.75 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.756 1.623 . . . . 0.0 112.046 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -76.96 149.03 79.68 Favored Pre-proline 0 C--N 1.345 0.394 0 O-C-N 119.329 -2.107 . . . . 0.0 110.579 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -73.13 -11.2 25.07 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 CA-C-N 122.694 1.998 . . . . 0.0 111.666 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -80.37 -7.64 59.18 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -85.84 -27.57 25.01 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.354 -1.466 . . . . 0.0 110.539 164.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -84.91 -48.18 9.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.1 -1.0 . . . . 0.0 112.54 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.277 81.7 mt-10 53.59 69.14 0.74 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -99.13 8.23 45.09 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.173 -0.954 . . . . 0.0 110.163 163.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.278 26.1 tp10 63.55 -99.9 0.08 Allowed 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.175 1.79 . . . . 0.0 110.585 -162.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -135.37 175.31 9.7 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.974 1.261 . . . . 0.0 113.494 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.41 73.3 1.22 Allowed Glycine 0 C--N 1.351 1.416 0 C-N-CA 123.874 0.75 . . . . 0.0 112.185 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -78.62 151.13 32.49 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.754 -0.851 . . . . 0.0 109.5 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -134.44 32.95 3.32 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.613 1.965 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -52.68 131.83 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.039 2.136 . . . . 0.0 115.139 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -94.39 155.67 16.86 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 119.888 -1.757 . . . . 0.0 111.778 -177.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -121.1 109.81 26.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-O 122.291 1.043 . . . . 0.0 109.636 167.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.85 80.42 7.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.279 -1.513 . . . . 0.0 109.643 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -57.97 162.09 3.56 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.151 1.78 . . . . 0.0 114.827 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 . . . . . 0 C--N 1.35 0.616 0 O-C-N 119.891 -1.756 . . . . 0.0 113.368 173.098 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -102.55 158.91 15.89 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.797 1.239 . . . . 0.0 112.32 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -136.66 175.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 124.054 0.942 . . . . 0.0 111.447 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -128.78 117.17 20.64 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.516 1.526 . . . . 0.0 110.151 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.59 142.72 27.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.628 0.728 . . . . 0.0 110.502 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -101.24 107.39 18.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.248 1.419 . . . . 0.0 109.821 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -97.7 99.56 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.765 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.45 101.78 13.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.572 1.149 . . . . 0.0 111.854 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.88 136.33 14.75 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 119.545 -1.972 . . . . 0.0 114.085 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.15 -32.16 73.44 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.48 -1.6 . . . . 0.0 112.51 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.91 49.62 1.09 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.003 1.721 . . . . 0.0 111.694 173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m120 66.84 -50.97 0.46 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.147 2.579 . . . . 0.0 117.68 175.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.95 118.42 12.77 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -95.62 128.85 46.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.875 -1.141 . . . . 0.0 110.367 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 t -120.83 158.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 125.024 1.33 . . . . 0.0 108.847 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.57 140.7 52.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.335 -2.103 . . . . 0.0 111.324 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -122.17 147.31 46.33 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.078 -1.014 . . . . 0.0 110.418 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -113.27 139.09 49.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.45 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' H ' ' A' ' 30' ' ' LYS . 5.8 tt -145.06 -179.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' H ' HG12 ' A' ' 29' ' ' ILE . 32.4 mtpt -98.17 159.74 14.74 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.803 -1.81 . . . . 0.0 110.629 170.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -74.05 -44.07 55.56 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -80.69 -2.91 48.7 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 120.569 -1.332 . . . . 0.0 114.111 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -88.13 131.23 43.38 Favored Pre-proline 0 C--N 1.352 0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.779 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.04 157.58 50.73 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.202 1.935 . . . . 0.0 111.814 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.95 -27.05 43.55 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -163.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -51.25 -38.18 51.24 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.725 1.61 . . . . 0.0 115.004 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -45.81 89.87 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.463 1.505 . . . . 0.0 113.182 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.86 -49.13 49.39 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.267 1.427 . . . . 0.0 111.483 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 87.2 mtp -51.9 -52.98 46.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.743 1.617 . . . . 0.0 112.886 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -65.34 -49.66 68.58 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.262 -0.899 . . . . 0.0 111.645 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.3 -41.94 66.14 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.48 -44.46 74.73 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.771 -1.205 . . . . 0.0 112.275 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.78 -43.81 98.12 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.767 -1.208 . . . . 0.0 113.208 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -53.19 57.82 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.419 2.287 . . . . 0.0 113.408 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -76.13 -19.75 58.23 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.002 -1.061 . . . . 0.0 113.085 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.22 -41.77 27.52 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.216 -1.552 . . . . 0.0 112.354 164.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 33.82 11.34 Favored Glycine 0 C--N 1.345 1.075 0 C-N-CA 126.011 1.767 . . . . 0.0 111.404 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.0 152.07 23.82 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 123.001 1.382 . . . . 0.0 113.051 -173.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -78.62 128.96 34.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 120.926 -1.109 . . . . 0.0 111.79 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.83 -33.54 71.9 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.829 -1.169 . . . . 0.0 112.577 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -44.36 -40.03 5.05 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.207 2.203 . . . . 0.0 116.859 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.65 5.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 O-C-N 120.68 -1.263 . . . . 0.0 112.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.9 88.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.09 0.956 . . . . 0.0 110.011 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -92.36 157.78 16.43 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.311 -2.118 . . . . 0.0 110.861 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -147.98 154.51 40.4 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.636 -1.29 . . . . 0.0 111.993 -172.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 154.13 49.12 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 168.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -117.53 123.99 47.62 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.64 25.52 6.47 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.08 -20.9 47.0 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 119.53 -1.982 . . . . 0.0 115.357 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -119.0 160.53 40.5 Favored Pre-proline 0 C--N 1.347 0.463 0 CA-C-N 119.628 1.714 . . . . 0.0 112.044 -172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.65 163.69 36.72 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-N 122.948 2.088 . . . . 0.0 112.104 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -143.86 155.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.39 160.43 14.29 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.469 -1.394 . . . . 0.0 109.374 171.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.53 -14.59 61.24 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 119.555 -1.966 . . . . 0.0 112.752 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -84.11 -8.16 59.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.531 1.932 . . . . 0.0 112.178 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -78.83 105.6 10.26 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.265 -1.522 . . . . 0.0 110.018 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.5 p -100.35 151.45 37.55 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 120.511 -1.368 . . . . 0.0 112.906 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 -7.37 18.17 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.216 1.944 . . . . 0.0 112.409 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -82.54 -41.08 20.1 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 110.89 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m -76.4 -28.56 56.75 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.66 -1.275 . . . . 0.0 112.739 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.29 -38.85 75.09 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.303 -1.498 . . . . 0.0 113.006 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.346 16.1 mt-10 67.61 19.06 9.9 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 61.5 tpp -63.93 138.48 58.49 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.734 1.213 . . . . 0.0 108.809 159.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.29 -69.97 0.47 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.149 -1.594 . . . . 0.0 111.836 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.87 165.73 35.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.75 32.41 1.58 Allowed Glycine 0 C--N 1.345 1.055 0 C-N-CA 124.197 0.904 . . . . 0.0 111.017 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.19 115.54 16.01 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.119 2.168 . . . . 0.0 112.612 -166.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 p -91.56 103.21 15.83 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.592 1.557 . . . . 0.0 114.842 -166.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 tt -118.4 126.41 75.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 O-C-N 120.441 -1.412 . . . . 0.0 111.116 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -90.39 146.84 23.85 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.741 -1.849 . . . . 0.0 111.075 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.1 t -117.94 114.65 45.97 Favored 'Isoleucine or valine' 0 C--N 1.345 0.372 0 CA-C-O 123.008 1.385 . . . . 0.0 110.592 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 100.09 11.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.425 1.49 . . . . 0.0 108.989 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.23 127.91 34.24 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.485 -1.384 . . . . 0.0 112.153 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 N--CA 1.448 -0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 112.154 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -91.06 133.64 35.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.173 1.389 . . . . 0.0 110.342 169.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.4 137.51 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -87.74 136.37 32.98 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.415 1.086 . . . . 0.0 111.952 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 153.24 50.69 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.814 0.845 . . . . 0.0 109.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -125.76 138.93 53.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.065 -1.022 . . . . 0.0 111.758 174.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.01 112.2 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 124.184 0.993 . . . . 0.0 108.718 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.5 88.91 6.08 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.2 1.0 . . . . 0.0 110.018 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.67 120.44 5.28 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 121.121 -0.987 . . . . 0.0 111.893 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -8.1 44.88 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.18 17.66 0.34 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.018 1.727 . . . . 0.0 111.857 167.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 76.87 -20.43 0.37 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.909 2.484 . . . . 0.0 114.13 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.56 67.4 0.76 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.664 1.586 . . . . 0.0 114.772 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.81 134.55 27.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 125.589 1.556 . . . . 0.0 110.37 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.08 151.38 19.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 123.914 0.886 . . . . 0.0 111.184 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.87 141.02 52.4 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.376 -1.453 . . . . 0.0 110.784 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -154.74 178.56 10.0 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.066 -1.021 . . . . 0.0 110.342 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -140.72 152.3 45.18 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.121 -1.612 . . . . 0.0 114.629 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.15 159.62 42.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 C-N-CA 125.543 1.537 . . . . 0.0 108.338 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -75.42 144.36 42.23 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.948 -2.345 . . . . 0.0 111.334 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -80.48 1.87 27.59 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.933 -1.73 . . . . 0.0 115.419 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -87.39 -31.63 19.99 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.084 -1.635 . . . . 0.0 112.542 170.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 p -82.34 149.8 62.49 Favored Pre-proline 0 C--N 1.345 0.396 0 O-C-N 120.691 -1.255 . . . . 0.0 113.279 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -74.58 169.16 23.16 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.482 2.121 . . . . 0.0 112.176 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.81 -32.87 65.83 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.535 -0.728 . . . . 0.0 112.962 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -47.71 -41.18 22.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.739 -1.225 . . . . 0.0 112.938 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.9 -49.85 41.31 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.482 -2.011 . . . . 0.0 110.557 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.5 mmm -50.48 -57.92 6.94 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -80.39 -5.7 56.87 Favored 'General case' 0 C--N 1.345 0.373 0 O-C-N 120.256 -1.527 . . . . 0.0 113.291 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.07 16.66 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 119.945 -1.722 . . . . 0.0 110.346 164.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -55.59 32.01 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.742 1.217 . . . . 0.0 112.535 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.5 m -58.51 -54.8 42.91 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -70.33 -28.74 65.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.446 -1.409 . . . . 0.0 113.633 -174.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.67 -47.12 73.48 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.212 -1.555 . . . . 0.0 112.808 169.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -50.86 64.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.971 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.97 -28.44 4.61 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 121.416 -0.803 . . . . 0.0 111.682 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.26 169.63 17.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.935 1.294 . . . . 0.0 113.12 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 p -153.8 -171.84 4.02 Favored 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 119.626 -1.921 . . . . 0.0 110.347 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -72.92 -10.16 59.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 112.292 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.45 -25.89 65.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.167 -1.583 . . . . 0.0 112.662 168.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.87 -30.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 123.979 0.912 . . . . 0.0 113.304 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.93 135.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.316 -1.49 . . . . 0.0 109.793 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 90.51 3.35 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.704 -1.872 . . . . 0.0 110.59 -169.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -82.87 133.06 35.14 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.103 -0.998 . . . . 0.0 112.413 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 149.47 43.83 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.093 -1.629 . . . . 0.0 107.92 162.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -119.0 108.46 14.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.8 t0 52.84 48.13 23.14 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 123.148 1.451 . . . . 0.0 112.442 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.0 -31.74 3.35 Favored Glycine 0 C--N 1.354 1.55 0 O-C-N 120.317 -1.489 . . . . 0.0 115.592 -171.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -96.33 156.77 36.51 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 120.494 -1.592 . . . . 0.0 114.437 -163.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 110.42 3.02 Favored 'Trans proline' 0 C--N 1.331 -0.379 0 C-N-CA 122.812 2.341 . . . . 0.0 113.026 170.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.62 137.9 20.25 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 O-C-N 120.762 -1.211 . . . . 0.0 111.972 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -87.65 118.87 27.44 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.026 -1.671 . . . . 0.0 111.86 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.71 -15.99 59.92 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -69.38 -23.03 63.68 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.252 -1.53 . . . . 0.0 113.614 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -74.73 167.47 21.74 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 122.593 1.187 . . . . 0.0 113.717 -171.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -118.23 148.12 43.06 Favored Pre-proline 0 C--N 1.343 0.295 0 O-C-N 120.909 -1.119 . . . . 0.0 110.894 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.27 -5.17 16.55 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 CA-C-N 121.299 1.5 . . . . 0.0 112.715 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -81.36 -21.17 39.3 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 120.322 1.419 . . . . 0.0 111.622 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 m -83.08 -41.99 17.95 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.531 1.158 . . . . 0.0 109.559 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.2 mt -73.94 -53.67 9.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.303 1.441 . . . . 0.0 112.913 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.341 51.2 mt-10 77.29 68.37 0.05 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.998 2.119 . . . . 0.0 114.747 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -112.49 176.7 4.91 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.031 1.332 . . . . 0.0 109.594 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -99.86 -110.95 0.19 Allowed 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.939 1.296 . . . . 0.0 112.864 -169.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -144.07 159.55 42.43 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 120.306 -1.496 . . . . 0.0 107.6 165.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.29 38.06 8.62 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -89.06 160.64 16.97 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.867 0.841 . . . . 0.0 110.511 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 p -135.98 131.91 35.66 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 120.544 -1.347 . . . . 0.0 112.615 -160.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.0 tt -130.07 135.25 61.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 120.32 -1.488 . . . . 0.0 108.992 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -101.53 133.11 46.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.355 -1.466 . . . . 0.0 109.896 -174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.56 124.81 67.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.49 -1.382 . . . . 0.0 112.479 -170.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -104.63 163.31 12.57 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.79 1.236 . . . . 0.0 110.234 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.36 174.81 5.72 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.697 -1.252 . . . . 0.0 114.258 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.351 0.664 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 161.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 121.232 0.539 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 149.17 40.83 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.581 -1.324 . . . . 0.0 113.154 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.79 154.2 39.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.742 1.217 . . . . 0.0 110.004 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -92.95 155.62 17.44 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.782 -1.198 . . . . 0.0 114.082 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -132.08 143.34 49.95 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 163.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -116.78 122.6 44.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 t -109.87 121.82 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 124.618 1.167 . . . . 0.0 110.083 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.0 111.55 19.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.083 -1.01 . . . . 0.0 113.155 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.09 166.07 51.33 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 120.161 -1.587 . . . . 0.0 113.98 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -6.2 47.38 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 120.872 -1.369 . . . . 0.0 114.192 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -85.4 -63.75 1.27 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.905 1.282 . . . . 0.0 111.034 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' H ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -172.15 -5.92 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.468 2.307 . . . . 0.0 110.741 167.305 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 22' ' ' ASN . . . -78.13 117.24 19.23 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 119.765 -1.835 . . . . 0.0 115.361 -167.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.11 121.43 63.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.74 -1.225 . . . . 0.0 109.388 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.17 144.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 125.778 1.631 . . . . 0.0 108.37 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -135.97 141.36 44.42 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 119.598 -1.939 . . . . 0.0 108.992 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -155.6 170.79 21.19 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.236 -0.915 . . . . 0.0 110.817 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -124.22 145.77 49.14 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 121.833 0.825 . . . . 0.0 112.049 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.73 153.63 31.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 125.437 1.495 . . . . 0.0 108.668 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -74.06 142.63 45.66 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.147 -1.596 . . . . 0.0 109.847 166.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.32 -18.74 61.75 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.766 -1.834 . . . . 0.0 114.681 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -84.33 -11.14 56.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 120.516 -1.365 . . . . 0.0 114.321 -169.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -111.11 154.79 43.37 Favored Pre-proline 0 C--N 1.347 0.485 0 O-C-N 120.476 -1.39 . . . . 0.0 110.994 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.44 165.35 23.18 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 CA-C-N 121.563 1.594 . . . . 0.0 112.682 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -33.07 72.25 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -39.56 20.33 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.774 1.63 . . . . 0.0 114.284 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -50.74 72.6 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.334 1.054 . . . . 0.0 112.48 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.37 -46.89 63.18 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.507 -1.371 . . . . 0.0 112.033 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.6 mmt -54.68 -50.78 67.43 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.13 82.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.675 -1.266 . . . . 0.0 112.199 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.95 96.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.614 -1.304 . . . . 0.0 113.05 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -43.12 88.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.8 -1.187 . . . . 0.0 112.365 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -55.31 -58.54 7.31 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.131 0.972 . . . . 0.0 113.131 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -73.68 -17.07 61.18 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -76.89 -47.72 20.37 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.079 -1.638 . . . . 0.0 111.194 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.98 70.91 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.812 -1.18 . . . . 0.0 113.303 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 16.68 12.71 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 125.895 1.712 . . . . 0.0 112.386 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.08 -179.9 4.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 120.562 -1.552 . . . . 0.0 111.638 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.54 -179.29 7.45 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 119.506 -1.996 . . . . 0.0 108.992 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 ttm -77.11 -5.85 50.57 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.662 -1.273 . . . . 0.0 113.002 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -62.62 -31.19 71.98 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.558 -1.964 . . . . 0.0 113.991 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.43 -57.16 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.107 0.563 . . . . 0.0 110.756 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.48 113.48 24.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.404 -1.435 . . . . 0.0 112.076 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.62 128.83 56.17 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.763 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 146.88 27.8 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.225 1.01 . . . . 0.0 112.365 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -134.24 139.99 46.15 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 110.673 163.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -104.75 114.67 29.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.471 1.908 . . . . 0.0 107.532 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.75 -23.64 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.57 -29.73 0.25 Allowed Glycine 0 C--N 1.343 0.971 0 C-N-CA 126.639 2.066 . . . . 0.0 111.45 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -106.2 164.17 15.5 Favored Pre-proline 0 C--N 1.347 0.461 0 O-C-N 121.069 -1.254 . . . . 0.0 112.279 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.72 154.04 48.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.755 1.636 . . . . 0.0 111.752 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -125.69 166.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 125.284 1.434 . . . . 0.0 107.436 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -113.53 169.22 9.13 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.387 -1.446 . . . . 0.0 111.902 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.52 -24.07 16.25 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.553 1.941 . . . . 0.0 112.558 -170.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -70.74 -20.25 62.66 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.807 -1.183 . . . . 0.0 113.248 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -68.16 135.72 52.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.973 1.368 . . . . 0.0 113.41 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -94.87 133.96 25.67 Favored Pre-proline 0 C--N 1.343 0.314 0 C-N-CA 125.617 1.567 . . . . 0.0 109.927 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.72 -13.26 24.53 Favored 'Trans proline' 0 CA--C 1.52 -0.213 0 CA-C-N 122.943 2.087 . . . . 0.0 112.212 -171.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -65.59 -25.48 67.43 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 126.609 1.964 . . . . 0.0 112.95 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -79.38 -28.22 41.91 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.806 1.642 . . . . 0.0 112.667 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -89.03 -31.25 18.16 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -169.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.84 60.03 0.55 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.877 1.671 . . . . 0.0 112.325 -171.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.9 ptm -104.93 147.86 27.31 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.018 -1.051 . . . . 0.0 111.707 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.9 171.85 13.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 123.661 1.696 . . . . 0.0 111.486 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.97 134.1 46.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 123.315 1.531 . . . . 0.0 112.825 170.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.95 48.5 3.12 Favored Glycine 0 CA--C 1.498 -0.997 0 O-C-N 119.972 -1.705 . . . . 0.0 113.755 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -68.53 159.99 30.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.945 0.872 . . . . 0.0 112.233 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -114.88 82.7 1.78 Allowed 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.53 1.532 . . . . 0.0 110.491 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.06 132.19 42.14 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 122.552 1.168 . . . . 0.0 110.503 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.61 145.43 25.75 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 119.11 -2.244 . . . . 0.0 112.583 -173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.59 131.16 71.14 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 124.821 1.248 . . . . 0.0 111.659 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.86 145.18 37.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.587 167.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.23 -141.71 0.36 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.039 0.935 . . . . 0.0 111.87 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 C--N 1.355 0.805 0 O-C-N 120.004 -1.685 . . . . 0.0 110.471 173.46 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 . . . . . 0 N--CA 1.45 -0.464 0 CA-C-O 122.078 0.942 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -137.43 160.66 38.47 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.997 -1.69 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 pt -110.04 149.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.949 -1.094 . . . . 0.0 109.518 173.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -119.88 134.16 55.33 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.79 159.28 29.86 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.666 1.186 . . . . 0.0 111.529 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -128.91 97.32 4.61 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 124.366 1.066 . . . . 0.0 111.611 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.72 100.05 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.671 -1.268 . . . . 0.0 109.528 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.3 95.8 8.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.083 0.953 . . . . 0.0 110.925 -173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.5 134.01 13.55 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 120.579 -1.326 . . . . 0.0 114.526 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -60.79 -26.24 67.13 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.713 -1.463 . . . . 0.0 113.37 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.1 -9.74 42.77 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.224 -1.547 . . . . 0.0 113.058 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 95.45 2.05 0.04 OUTLIER 'General case' 0 C--N 1.355 0.839 0 C-N-CA 130.226 3.411 . . . . 0.0 112.58 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.75 107.84 18.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.358 -1.464 . . . . 0.0 110.839 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.71 130.52 54.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 124.857 1.263 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.64 144.86 36.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.773 -1.205 . . . . 0.0 112.817 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -93.87 121.55 35.45 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.503 -1.373 . . . . 0.0 112.562 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -106.27 168.65 9.0 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 110.255 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -150.33 141.17 22.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.547 -1.346 . . . . 0.0 109.517 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 tt -140.93 159.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -75.22 145.63 41.84 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.586 -1.946 . . . . 0.0 110.083 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -68.56 -27.06 65.74 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.427 -2.046 . . . . 0.0 113.219 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.39 -21.76 61.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 119.777 -1.827 . . . . 0.0 114.639 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -104.27 141.17 21.97 Favored Pre-proline 0 C--N 1.349 0.558 0 C-N-CA 124.316 1.046 . . . . 0.0 113.192 -166.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.32 161.18 38.2 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 123.081 2.521 . . . . 0.0 113.834 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.86 -45.08 37.54 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.172 1.389 . . . . 0.0 114.133 -167.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.7 -53.05 0.43 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 128.914 2.886 . . . . 0.0 117.861 -174.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -39.5 92.58 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.261 -1.524 . . . . 0.0 113.743 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.2 -43.52 81.9 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.976 -1.077 . . . . 0.0 111.392 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.97 -52.98 62.25 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 112.831 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.55 93.29 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.965 -1.085 . . . . 0.0 112.561 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.03 95.44 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.542 -1.349 . . . . 0.0 113.956 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.2 -41.76 99.2 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.126 -1.609 . . . . 0.0 113.203 171.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.5 -49.79 73.68 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.557 1.071 . . . . 0.0 113.71 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.99 -53.72 52.07 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.129 1.372 . . . . 0.0 113.557 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -69.06 -45.29 70.75 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.84 -1.163 . . . . 0.0 113.654 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -24.4 62.01 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.355 -0.84 . . . . 0.0 113.136 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.02 37.1 11.78 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 121.194 -0.941 . . . . 0.0 112.4 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -120.82 163.31 18.35 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.836 0.854 . . . . 0.0 110.145 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -120.26 148.49 43.63 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.451 -1.405 . . . . 0.0 112.043 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -14.07 62.39 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -174.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -49.38 -58.88 4.32 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.03 -1.669 . . . . 0.0 113.534 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.6 -11.73 10.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.832 1.253 . . . . 0.0 113.401 -170.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -105.49 103.61 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.038 -1.039 . . . . 0.0 110.406 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -87.25 114.54 23.94 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.331 -1.481 . . . . 0.0 110.691 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -97.66 137.5 36.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.007 0.923 . . . . 0.0 109.302 169.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -141.75 140.24 33.05 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.184 -0.947 . . . . 0.0 110.073 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -128.01 140.68 51.83 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t0 54.2 33.03 17.16 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.182 1.468 . . . . 0.0 112.331 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.06 -24.71 6.61 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.384 1.469 . . . . 0.0 114.785 -171.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -117.15 171.4 4.93 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 125.846 1.659 . . . . 0.0 114.068 -155.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -71.11 114.97 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.753 2.302 . . . . 0.0 113.424 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -87.57 153.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 C-N-CA 125.345 1.458 . . . . 0.0 111.035 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.88 137.18 34.29 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.95 -1.719 . . . . 0.0 112.167 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.77 -4.48 46.58 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -174.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -116.9 12.17 14.63 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 120.586 -1.322 . . . . 0.0 114.391 -158.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.94 -152.66 0.21 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.524 -1.36 . . . . 0.0 110.131 170.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.98 140.07 13.47 Favored Pre-proline 0 C--N 1.346 0.433 0 O-C-N 119.562 -1.961 . . . . 0.0 108.949 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.43 -25.64 55.84 Favored 'Trans proline' 0 CA--C 1.516 -0.376 0 CA-C-N 123.872 2.418 . . . . 0.0 113.789 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -77.77 -9.07 58.82 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.929 -1.107 . . . . 0.0 112.988 171.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -83.01 -44.77 14.85 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.354 -1.466 . . . . 0.0 109.794 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.45 -31.36 62.23 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.254 -0.904 . . . . 0.0 112.361 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.313 34.8 mt-10 82.85 -50.11 0.17 Allowed 'General case' 0 C--N 1.351 0.633 0 C-N-CA 128.467 2.707 . . . . 0.0 112.289 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.7 ttp -110.62 104.62 13.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 121.655 -0.653 . . . . 0.0 109.54 168.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -133.17 -15.23 2.57 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 123.108 1.432 . . . . 0.0 110.215 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.6 135.34 57.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.286 -2.134 . . . . 0.0 115.238 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.32 46.95 3.66 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 121.016 -1.052 . . . . 0.0 111.262 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 167.5 12.46 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.79 1.236 . . . . 0.0 112.594 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -148.0 58.69 1.11 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.831 1.652 . . . . 0.0 109.035 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.4 tt -77.34 120.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.7 -1.875 . . . . 0.0 113.338 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.82 133.81 33.81 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 119.455 -2.028 . . . . 0.0 110.849 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.29 124.93 71.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-O 122.786 1.279 . . . . 0.0 111.228 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -95.49 154.25 17.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 119.847 -1.783 . . . . 0.0 110.958 171.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -110.78 116.12 30.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.142 1.377 . . . . 0.0 107.867 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.346 0.417 0 CA-C-O 122.722 1.249 . . . . 0.0 111.473 175.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -157.24 148.86 22.23 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.712 -1.868 . . . . 0.0 111.594 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -101.07 148.78 6.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 120.738 -1.226 . . . . 0.0 111.851 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -93.26 135.73 34.19 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.036 -1.04 . . . . 0.0 110.173 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.35 132.62 55.36 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.545 -0.722 . . . . 0.0 109.246 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -107.46 121.37 44.48 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.549 1.139 . . . . 0.0 109.738 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.68 108.85 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 125.084 1.354 . . . . 0.0 109.01 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.0 112.98 25.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.86 -1.15 . . . . 0.0 110.175 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 124.93 8.32 Favored Glycine 0 C--N 1.347 1.163 0 O-C-N 120.555 -1.341 . . . . 0.0 111.347 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -67.48 -11.83 58.84 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.15 -1.206 . . . . 0.0 114.101 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -46.08 -23.19 0.29 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 127.668 2.387 . . . . 0.0 116.087 156.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 100.43 44.95 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 C-N-CA 130.238 3.415 . . . . 0.0 111.737 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.0 161.26 38.1 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.496 -1.378 . . . . 0.0 110.481 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.84 137.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.958 -1.089 . . . . 0.0 110.118 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.29 147.1 18.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -133.99 144.16 48.58 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.519 -1.988 . . . . 0.0 110.089 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -146.01 176.53 9.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.6 0.76 . . . . 0.0 109.031 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 137.63 37.24 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 121.078 -1.014 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 tt -123.51 146.01 29.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 121.158 -0.964 . . . . 0.0 111.604 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.11 149.44 41.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.216 1.406 . . . . 0.0 110.463 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.7 -39.08 93.04 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 119.785 -1.822 . . . . 0.0 115.054 -169.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -17.19 58.51 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.9 p -91.49 130.47 39.28 Favored Pre-proline 0 C--N 1.35 0.62 0 O-C-N 120.058 -1.651 . . . . 0.0 112.937 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.96 157.4 54.78 Favored 'Trans proline' 0 CA--C 1.519 -0.235 0 C-N-CA 122.504 2.136 . . . . 0.0 113.463 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.43 -38.61 81.35 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.369 1.068 . . . . 0.0 113.065 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -50.79 -38.35 47.87 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.298 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -58.86 -46.04 88.69 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.771 -1.206 . . . . 0.0 113.643 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.76 -48.36 38.98 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.709 -1.245 . . . . 0.0 111.186 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -57.98 -44.88 87.38 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.864 -1.148 . . . . 0.0 113.645 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.65 -44.79 89.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.869 1.267 . . . . 0.0 111.609 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.58 78.89 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.022 -1.049 . . . . 0.0 112.796 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.6 -50.3 65.61 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.454 1.102 . . . . 0.0 112.975 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -56.57 -51.16 69.67 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.665 -1.272 . . . . 0.0 114.054 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -67.6 -40.37 84.78 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.24 1.016 . . . . 0.0 111.98 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -67.9 -38.5 83.05 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.886 -1.759 . . . . 0.0 113.666 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.57 85.13 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.296 -1.502 . . . . 0.0 111.512 171.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.14 48.38 1.24 Allowed Glycine 0 CA--C 1.497 -1.075 0 C-N-CA 124.54 1.067 . . . . 0.0 110.934 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -137.11 161.98 34.65 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.418 -1.048 . . . . 0.0 110.21 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 m -105.85 163.06 13.02 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.09 -14.71 61.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.986 -1.696 . . . . 0.0 111.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -54.25 -50.92 66.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 127.341 2.256 . . . . 0.0 115.021 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -86.66 -11.78 11.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.05 -1.032 . . . . 0.0 113.564 -169.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.05 130.43 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.498 1.119 . . . . 0.0 109.209 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -114.19 149.44 35.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.869 -1.769 . . . . 0.0 108.114 170.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.74 153.77 30.41 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -144.82 153.59 41.79 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.083 0.953 . . . . 0.0 109.681 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -133.4 127.43 33.41 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.022 1.329 . . . . 0.0 108.194 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.45 29.53 5.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.52 -35.7 4.88 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 120.049 -1.657 . . . . 0.0 113.427 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -94.17 162.34 26.8 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 125.251 1.42 . . . . 0.0 112.731 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.35 159.25 53.61 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 CA-C-N 122.435 1.905 . . . . 0.0 110.389 157.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 tp -132.71 147.89 31.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 121.565 -0.71 . . . . 0.0 109.432 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.41 147.0 23.98 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.507 -1.37 . . . . 0.0 110.213 171.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 4.75 51.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.816 1.647 . . . . 0.0 112.294 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -77.45 -57.88 3.58 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.772 -1.205 . . . . 0.0 112.426 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 136.3 57.74 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.7 161.79 54.95 Favored Pre-proline 0 C--N 1.346 0.425 0 C-N-CA 125.602 1.561 . . . . 0.0 112.649 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.27 -9.2 22.95 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 121.786 1.658 . . . . 0.0 112.052 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -62.59 -35.36 79.29 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 125.548 1.539 . . . . 0.0 111.993 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 m -86.01 -38.51 17.81 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.948 1.299 . . . . 0.0 112.259 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.56 -36.58 65.64 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 76.82 -5.81 2.12 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.852 2.168 . . . . 0.0 116.852 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.38 169.37 9.07 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -86.97 155.71 20.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.159 1.457 . . . . 0.0 113.813 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.59 57.23 1.56 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.318 -2.114 . . . . 0.0 115.614 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.79 41.69 0.09 OUTLIER Glycine 0 CA--C 1.497 -1.074 0 O-C-N 120.864 -1.148 . . . . 0.0 110.65 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.46 163.72 15.81 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 122.135 0.969 . . . . 0.0 113.393 -167.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -117.5 113.84 22.59 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.511 1.524 . . . . 0.0 112.635 -171.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -111.38 143.29 21.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.816 -1.178 . . . . 0.0 108.735 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -101.6 148.89 24.69 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.885 -1.76 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.35 134.67 65.87 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.508 1.523 . . . . 0.0 109.601 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.11 120.29 31.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 172.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -106.36 173.87 6.13 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.329 -1.482 . . . . 0.0 113.0 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--N 1.348 0.521 0 C-N-CA 125.344 1.458 . . . . 0.0 113.532 160.582 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 . . . . . 0 C--O 1.236 0.346 0 CA-C-O 123.948 1.832 . . . . 0.0 113.964 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -96.73 134.87 39.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 120.116 -1.615 . . . . 0.0 111.747 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 pt -105.51 152.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 C-N-CA 124.297 1.039 . . . . 0.0 110.406 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.88 124.37 36.82 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.349 -0.844 . . . . 0.0 111.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.42 125.64 54.46 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -108.69 140.55 41.93 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.962 -1.086 . . . . 0.0 110.598 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.42 122.36 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 123.929 0.892 . . . . 0.0 108.969 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.55 98.18 7.6 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.39 -0.819 . . . . 0.0 110.511 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.93 137.73 19.76 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 120.065 -1.647 . . . . 0.0 114.749 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -67.57 -28.98 68.23 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.703 -1.469 . . . . 0.0 111.409 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.04 21.36 0.33 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 113.197 166.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 75.97 -8.14 1.68 Allowed 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.73 2.412 . . . . 0.0 115.858 166.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.06 30.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 120.963 -1.086 . . . . 0.0 112.914 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.36 124.01 70.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.99 161.91 39.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 121.152 -0.968 . . . . 0.0 108.959 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -149.79 130.95 14.48 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.517 -1.365 . . . . 0.0 113.064 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -124.82 162.76 23.62 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.468 1.107 . . . . 0.0 111.17 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -119.43 136.29 54.37 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.065 0.946 . . . . 0.0 109.543 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -139.16 151.37 23.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.85 -1.156 . . . . 0.0 109.085 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -66.34 128.47 36.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.193 -1.567 . . . . 0.0 109.96 167.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.7 -32.26 73.72 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.76 51.4 2.13 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 120.073 -1.642 . . . . 0.0 112.446 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.0 p -141.63 149.75 54.87 Favored Pre-proline 0 C--N 1.351 0.641 0 O-C-N 120.531 -1.356 . . . . 0.0 108.626 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.82 146.13 26.08 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 121.916 1.744 . . . . 0.0 112.536 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.11 -29.32 63.96 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.28 -0.888 . . . . 0.0 112.901 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.29 -26.93 61.64 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.931 -1.731 . . . . 0.0 113.8 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.17 -44.88 94.69 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.471 -1.393 . . . . 0.0 112.185 170.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.5 -47.92 74.34 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.057 0.943 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.0 mmt -52.68 -52.02 57.75 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.06 -48.04 83.59 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.331 1.052 . . . . 0.0 112.729 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.43 90.01 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.0 -1.687 . . . . 0.0 113.489 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.76 -48.91 67.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.643 -1.286 . . . . 0.0 112.615 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.34 -38.53 90.42 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.292 -1.505 . . . . 0.0 113.671 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -64.14 -23.13 67.2 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 173.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -44.08 9.33 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.361 -1.462 . . . . 0.0 112.161 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 119.85 -1.781 . . . . 0.0 114.394 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 60.59 1.63 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 121.365 -0.835 . . . . 0.0 111.684 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.34 175.24 10.94 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -104.1 138.03 41.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 120.77 -1.206 . . . . 0.0 111.07 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.22 -37.93 89.22 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.631 -1.293 . . . . 0.0 112.412 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -37.16 -44.26 0.55 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 129.579 3.152 . . . . 0.0 116.991 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.85 -4.23 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.961 -1.087 . . . . 0.0 113.654 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.7 t -109.34 81.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.734 -1.229 . . . . 0.0 109.109 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -90.76 99.93 12.87 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.486 -2.009 . . . . 0.0 114.65 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.58 143.8 46.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.486 1.915 . . . . 0.0 113.189 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -138.46 142.27 39.44 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.553 1.141 . . . . 0.0 108.128 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -111.87 125.65 54.25 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 61.05 25.72 15.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 123.887 1.803 . . . . 0.0 112.194 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.65 1.14 76.26 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.148 -1.595 . . . . 0.0 115.594 -170.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -113.54 155.46 44.79 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 119.701 1.751 . . . . 0.0 112.592 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.52 157.89 44.41 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.176 1.917 . . . . 0.0 110.821 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.97 157.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 O-C-N 121.057 -1.027 . . . . 0.0 109.532 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.95 127.44 32.87 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.558 -1.339 . . . . 0.0 110.605 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.82 -29.54 50.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.385 1.088 . . . . 0.0 111.818 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.49 0.38 42.69 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.336 -1.477 . . . . 0.0 111.12 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -174.35 4.68 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.267 1.508 . . . . 0.0 114.28 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.1 p -125.25 133.52 24.92 Favored Pre-proline 0 C--N 1.344 0.341 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.931 -164.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.09 1.6 8.52 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.355 2.037 . . . . 0.0 112.182 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 p -75.2 -41.88 56.81 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 125.949 1.7 . . . . 0.0 110.482 163.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -60.16 -49.21 78.55 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 122.364 1.078 . . . . 0.0 111.875 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.15 -19.32 62.44 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 55.27 51.45 13.1 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.845 1.658 . . . . 0.0 115.247 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -94.49 150.82 19.88 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 120.495 -1.378 . . . . 0.0 112.041 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.8 -99.5 0.14 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.49 1.516 . . . . 0.0 111.876 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.47 156.69 45.21 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.266 -1.521 . . . . 0.0 108.015 166.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 60.92 1.33 Allowed Glycine 0 CA--C 1.497 -1.066 0 O-C-N 121.358 -0.839 . . . . 0.0 113.577 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.77 154.46 38.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 122.021 -0.694 . . . . 0.0 109.803 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 p -142.13 81.14 1.74 Allowed 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 124.618 1.167 . . . . 0.0 108.344 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.79 123.76 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 122.454 1.121 . . . . 0.0 110.178 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.92 133.87 35.67 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 119.705 -1.872 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.36 125.15 74.16 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 O-C-N 120.512 -1.367 . . . . 0.0 110.797 -171.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 109.35 21.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 170.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.02 169.82 12.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.964 -1.085 . . . . 0.0 108.874 166.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 . . . . . 0 C--N 1.344 0.363 0 O-C-N 119.214 -2.179 . . . . 0.0 111.256 167.251 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -139.28 148.37 42.9 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 pt -103.64 170.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.744 1.618 . . . . 0.0 110.298 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -122.99 133.57 54.36 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 121.058 -1.026 . . . . 0.0 111.166 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.76 130.5 55.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -114.35 111.07 20.88 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.851 -1.156 . . . . 0.0 109.144 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.06 110.15 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 O-C-N 121.066 -1.021 . . . . 0.0 109.834 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.51 120.34 28.71 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.998 -1.064 . . . . 0.0 111.142 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.48 144.68 19.93 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 120.169 -1.582 . . . . 0.0 113.885 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -68.63 -28.98 67.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.116 -1.226 . . . . 0.0 113.603 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -94.96 67.61 3.13 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 119.692 -1.88 . . . . 0.0 109.693 160.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 74.17 -46.08 0.61 Allowed 'General case' 0 C--N 1.341 0.202 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 156.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.58 131.74 40.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.05 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 124.526 1.131 . . . . 0.0 108.836 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.63 128.14 75.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.475 -1.391 . . . . 0.0 108.801 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -106.81 138.32 43.21 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.141 -1.599 . . . . 0.0 112.654 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -121.1 170.22 9.76 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.57 1.176 . . . . 0.0 111.778 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -147.87 125.13 11.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 108.399 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -147.59 155.34 10.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 O-C-N 120.862 -1.149 . . . . 0.0 109.41 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -75.44 163.45 27.4 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.724 -1.86 . . . . 0.0 111.139 169.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.92 -13.83 60.26 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.489 -1.382 . . . . 0.0 113.626 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.99 -18.86 21.44 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.271 1.428 . . . . 0.0 113.619 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -102.87 128.59 27.49 Favored Pre-proline 0 C--N 1.345 0.4 0 O-C-N 120.694 -1.253 . . . . 0.0 107.738 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.25 158.1 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 122.302 1.858 . . . . 0.0 112.263 -162.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.71 -40.89 80.61 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.25 1.42 . . . . 0.0 112.175 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -52.88 -34.86 56.65 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.11 -44.25 84.87 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.173 -1.579 . . . . 0.0 111.568 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.98 -46.11 90.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.698 1.199 . . . . 0.0 111.965 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmt -55.16 -59.36 4.88 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -60.95 -39.27 88.89 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.542 -1.348 . . . . 0.0 113.546 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.69 83.58 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.678 -1.264 . . . . 0.0 113.896 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.404 -1.435 . . . . 0.0 113.496 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.86 -56.21 23.29 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.524 1.511 . . . . 0.0 112.969 168.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.65 -43.5 84.96 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.886 1.274 . . . . 0.0 113.121 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -75.31 -36.4 61.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.895 -1.753 . . . . 0.0 115.683 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -46.34 46.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.248 -1.533 . . . . 0.0 111.678 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.34 35.34 33.78 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.132 -0.98 . . . . 0.0 111.04 -173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.1 167.25 15.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.488 1.115 . . . . 0.0 111.511 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -106.83 116.32 31.72 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 120.814 -1.178 . . . . 0.0 110.882 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.4 tpp -69.61 -14.15 62.68 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.063 -1.648 . . . . 0.0 113.76 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -69.56 -11.98 61.27 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.349 -1.47 . . . . 0.0 114.749 168.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.68 15.36 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 119.958 -1.714 . . . . 0.0 112.285 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.86 132.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 109.087 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -143.14 150.11 39.0 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.648 -1.282 . . . . 0.0 108.612 165.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -128.51 152.71 47.95 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.072 0.949 . . . . 0.0 110.698 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -157.83 158.78 35.82 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 121.147 -0.971 . . . . 0.0 113.215 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -135.1 136.54 42.04 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 47.03 44.51 15.06 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.23 1.412 . . . . 0.0 114.662 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.84 -31.26 3.37 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.071 -1.643 . . . . 0.0 115.731 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -96.13 138.98 21.57 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 124.722 1.209 . . . . 0.0 114.064 -163.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.61 138.39 29.31 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.497 2.132 . . . . 0.0 111.743 169.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 tt -106.54 162.09 5.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 C-N-CA 123.892 0.877 . . . . 0.0 112.335 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -99.6 121.7 41.58 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.603 -1.311 . . . . 0.0 109.418 171.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -81.49 11.99 4.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.854 -1.779 . . . . 0.0 114.549 -175.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -102.64 2.24 35.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.844 1.658 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.8 171.11 14.91 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.053 -1.03 . . . . 0.0 109.472 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 p -132.47 148.53 69.99 Favored Pre-proline 0 N--CA 1.473 0.705 0 O-C-N 120.33 -1.481 . . . . 0.0 112.637 -172.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.15 1.74 8.39 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 121.87 1.714 . . . . 0.0 113.29 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.3 p -89.05 -31.02 18.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.266 1.394 . . . . 0.0 110.728 164.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -66.42 -34.32 77.69 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.156 0.983 . . . . 0.0 113.62 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.41 -69.13 0.79 Allowed 'General case' 0 CA--C 1.513 -0.462 0 O-C-N 120.147 -1.595 . . . . 0.0 112.362 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 84.36 48.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.733 2.413 . . . . 0.0 112.674 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -145.59 -5.58 0.64 Allowed 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.712 -1.242 . . . . 0.0 112.698 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 46.32 1.35 Allowed 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 119.913 -1.742 . . . . 0.0 114.226 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.95 -39.53 34.31 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.219 -2.175 . . . . 0.0 111.603 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.93 92.92 0.43 Allowed Glycine 0 C--N 1.349 1.255 0 C-N-CA 124.4 1.0 . . . . 0.0 111.538 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.38 163.16 19.71 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.035 0.921 . . . . 0.0 111.474 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -152.72 51.62 0.76 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 127.21 2.204 . . . . 0.0 109.373 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 138.26 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 119.405 -2.059 . . . . 0.0 113.788 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.06 151.49 19.41 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 118.556 -2.59 . . . . 0.0 111.942 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.56 129.07 72.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-O 123.36 1.553 . . . . 0.0 112.098 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -87.45 134.35 33.61 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.391 -1.443 . . . . 0.0 108.141 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -136.96 154.26 50.48 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.907 1.283 . . . . 0.0 108.619 -167.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.707 0 O-C-N 120.348 -1.47 . . . . 0.0 113.564 170.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 . . . . . 0 CA--C 1.547 0.838 0 CA-C-O 122.448 1.118 . . . . 0.0 112.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 158.01 42.51 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.491 -2.006 . . . . 0.0 110.567 -170.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 pt -136.95 164.01 31.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 O-C-N 121.249 -0.907 . . . . 0.0 109.503 171.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -104.38 150.56 24.4 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.929 -1.107 . . . . 0.0 111.704 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.48 142.73 47.29 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -103.34 134.97 45.83 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.752 1.221 . . . . 0.0 109.74 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.93 113.61 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.414 -0.804 . . . . 0.0 108.838 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -87.85 92.75 9.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.64 121.63 5.56 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.068 -1.02 . . . . 0.0 111.646 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.7 -17.59 64.63 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -82.05 10.64 6.26 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.314 -1.491 . . . . 0.0 112.815 170.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 m120 80.39 7.44 1.49 Allowed 'General case' 0 C--N 1.352 0.68 0 C-N-CA 128.713 2.805 . . . . 0.0 112.643 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.68 70.13 10.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 122.621 1.2 . . . . 0.0 112.255 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.9 t -77.56 136.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 C-N-CA 125.427 1.491 . . . . 0.0 111.244 -176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.22 159.16 22.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 O-C-N 120.189 -1.569 . . . . 0.0 108.91 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 153.48 41.49 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 119.687 -1.883 . . . . 0.0 109.918 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -153.73 154.42 34.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.281 -0.887 . . . . 0.0 111.477 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -95.97 132.43 41.31 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.208 1.004 . . . . 0.0 111.803 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 tt -112.31 144.44 20.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 109.316 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -80.19 125.53 29.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.579 -1.326 . . . . 0.0 108.09 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -75.72 -7.34 54.12 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.437 -2.039 . . . . 0.0 116.338 -156.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.91 -47.5 71.56 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.22 -1.55 . . . . 0.0 113.315 167.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 p -74.2 140.68 76.72 Favored Pre-proline 0 C--N 1.348 0.54 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -163.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.21 172.73 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.484 2.123 . . . . 0.0 111.424 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.92 -28.52 60.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -47.92 -46.88 32.37 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 -172.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -34.68 77.72 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.662 -1.274 . . . . 0.0 112.328 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.72 -49.0 19.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.736 -1.228 . . . . 0.0 110.875 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -63.41 1.13 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.98 1.712 . . . . 0.0 114.172 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -71.87 -27.21 62.71 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.073 -1.017 . . . . 0.0 112.718 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.11 92.31 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.631 -1.293 . . . . 0.0 112.671 167.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.22 -42.06 98.96 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 119.77 -1.831 . . . . 0.0 113.122 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -54.68 -57.37 11.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.993 -1.067 . . . . 0.0 113.73 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -75.98 -26.12 56.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -82.45 -19.63 38.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.268 -2.145 . . . . 0.0 113.356 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.51 -42.78 13.26 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.856 -1.152 . . . . 0.0 112.521 169.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.34 42.46 1.75 Allowed Glycine 0 C--N 1.348 1.248 0 C-N-CA 125.054 1.311 . . . . 0.0 112.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.32 171.79 13.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.563 -0.963 . . . . 0.0 111.809 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 m -118.82 143.58 46.85 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.57 -1.331 . . . . 0.0 111.887 -171.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -26.47 67.03 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.556 -1.34 . . . . 0.0 113.192 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -49.28 -48.79 45.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 168.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.96 -32.72 8.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.572 -1.33 . . . . 0.0 111.963 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.39 120.87 18.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.749 -1.22 . . . . 0.0 111.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.19 99.75 7.85 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 119.425 -2.047 . . . . 0.0 108.481 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -101.98 145.17 29.65 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.754 -1.217 . . . . 0.0 111.439 -174.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 147.24 39.41 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 120.732 -1.23 . . . . 0.0 109.806 172.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -128.66 142.03 51.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 63.77 22.11 12.94 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 123.433 1.587 . . . . 0.0 111.396 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -18.36 22.39 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 120.083 -1.636 . . . . 0.0 114.361 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -113.13 164.72 14.84 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 126.137 1.775 . . . . 0.0 113.364 -161.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.93 117.3 5.01 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 122.316 2.011 . . . . 0.0 112.803 167.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -94.36 144.75 9.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 C-N-CA 125.555 1.542 . . . . 0.0 112.589 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.23 123.43 41.01 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.45 -1.406 . . . . 0.0 112.139 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -71.72 -2.75 18.52 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -85.54 -22.29 28.18 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.831 1.252 . . . . 0.0 111.731 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 122.17 20.0 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.688 -1.257 . . . . 0.0 109.638 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.6 p -79.22 147.37 68.94 Favored Pre-proline 0 C--N 1.347 0.488 0 O-C-N 119.924 -1.735 . . . . 0.0 111.206 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -70.49 -16.14 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 CA-C-N 123.415 2.255 . . . . 0.0 112.781 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -78.48 -24.72 45.76 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.541 1.064 . . . . 0.0 112.606 169.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.2 m -72.52 -41.71 65.58 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.159 -1.588 . . . . 0.0 110.604 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.32 -35.44 79.43 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.734 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 68.22 44.53 1.37 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.244 1.418 . . . . 0.0 113.843 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 52.0 mtm -95.91 -177.71 4.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.691 -1.255 . . . . 0.0 112.637 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -120.31 -176.57 3.24 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.43 1.092 . . . . 0.0 113.718 -162.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.97 86.53 7.37 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.121 -1.612 . . . . 0.0 113.217 -172.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.21 64.95 0.08 OUTLIER Glycine 0 C--N 1.346 1.118 0 O-C-N 121.036 -1.04 . . . . 0.0 111.59 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.99 160.86 16.16 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.843 . . . . 0.0 111.857 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -133.0 114.26 13.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.1 -1.625 . . . . 0.0 113.947 -169.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -114.27 138.64 43.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.655 -1.278 . . . . 0.0 111.679 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.84 138.52 31.92 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.094 -1.629 . . . . 0.0 111.748 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.96 116.35 42.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 122.605 1.193 . . . . 0.0 110.953 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.02 123.9 33.77 Favored 'General case' 0 N--CA 1.442 -0.867 0 O-C-N 121.104 -0.998 . . . . 0.0 108.663 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -136.36 137.59 40.73 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.469 0 O-C-N 121.597 -0.69 . . . . 0.0 109.258 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -139.08 159.81 41.26 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.18 142.21 42.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 C-N-CA 123.848 0.859 . . . . 0.0 110.686 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -86.44 123.12 31.32 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 112.721 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.47 140.01 40.04 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.552 1.541 . . . . 0.0 109.795 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -115.99 114.72 24.99 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.041 -1.037 . . . . 0.0 110.034 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.94 115.05 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 O-C-N 120.419 -1.425 . . . . 0.0 109.56 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.84 117.38 33.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.51 0.724 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.08 147.51 18.61 Favored Glycine 0 C--N 1.347 1.141 0 O-C-N 120.659 -1.276 . . . . 0.0 112.981 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.82 -19.64 65.78 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.502 -1.587 . . . . 0.0 112.692 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.07 -7.1 53.93 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 130.397 3.479 . . . . 0.0 113.507 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.265 27.0 m120 75.42 21.98 1.72 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.327 2.251 . . . . 0.0 114.839 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.07 131.8 35.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.56 -1.338 . . . . 0.0 110.392 158.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.55 117.34 23.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.442 0 O-C-N 120.779 -1.2 . . . . 0.0 109.273 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.26 147.11 32.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 120.51 -1.368 . . . . 0.0 111.037 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -115.9 134.73 54.68 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.044 -1.035 . . . . 0.0 110.26 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -141.37 177.68 7.94 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -134.35 144.26 48.15 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.35 -1.469 . . . . 0.0 112.312 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 tt -116.0 146.21 20.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 C-N-CA 124.418 1.087 . . . . 0.0 108.499 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -80.65 136.08 36.15 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.989 -1.695 . . . . 0.0 109.969 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.32 -23.37 62.42 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -167.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -75.83 -20.6 58.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 120.735 -1.228 . . . . 0.0 113.814 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -93.14 128.43 43.11 Favored Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 120.542 -1.349 . . . . 0.0 109.49 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.52 161.5 42.14 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 121.983 1.789 . . . . 0.0 112.933 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.64 -30.17 66.72 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -171.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -46.61 -44.79 18.55 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 126.9 2.08 . . . . 0.0 114.762 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -49.44 76.98 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.573 1.149 . . . . 0.0 111.933 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.54 -53.4 52.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.772 0.829 . . . . 0.0 112.105 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -53.63 55.95 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.998 1.319 . . . . 0.0 114.018 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -73.3 -32.23 64.49 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.756 -1.215 . . . . 0.0 112.23 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.479 -1.388 . . . . 0.0 113.197 169.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.82 -46.2 88.2 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.84 -1.162 . . . . 0.0 112.2 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -55.5 -49.33 72.85 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.21 -44.71 71.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -79.18 -32.07 44.04 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 121.245 -0.909 . . . . 0.0 113.322 -173.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.16 61.32 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.682 -1.261 . . . . 0.0 110.881 166.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 42.68 3.4 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.267 -0.896 . . . . 0.0 114.483 164.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -118.84 0.31 Allowed 'General case' 0 C--N 1.344 0.341 0 C-N-CA 124.454 1.102 . . . . 0.0 110.774 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -173.19 162.02 4.39 Favored 'General case' 0 CA--C 1.504 -0.816 0 O-C-N 119.782 -1.824 . . . . 0.0 106.582 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 tpt -77.15 -26.95 53.59 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 122.225 1.012 . . . . 0.0 111.942 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -40.42 -68.36 0.18 Allowed 'General case' 0 C--N 1.347 0.462 0 C-N-CA 127.486 2.314 . . . . 0.0 115.387 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.15 9.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.393 0 O-C-N 120.216 -1.552 . . . . 0.0 114.892 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.38 89.91 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.593 1.557 . . . . 0.0 108.866 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -92.51 87.36 5.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 119.392 -2.067 . . . . 0.0 112.459 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -81.98 131.31 35.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.539 1.535 . . . . 0.0 113.517 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -136.85 140.82 42.67 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.367 -1.458 . . . . 0.0 110.02 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -126.51 133.03 51.25 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.458 -1.401 . . . . 0.0 108.094 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.73 7.4 4.49 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.974 1.31 . . . . 0.0 112.073 -167.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.42 -15.14 63.83 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 120.135 -1.603 . . . . 0.0 112.511 -168.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -101.96 161.08 24.54 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.603 1.561 . . . . 0.0 112.665 -168.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -71.49 156.69 57.79 Favored 'Trans proline' 0 C--N 1.331 -0.367 0 CA-C-N 122.202 1.822 . . . . 0.0 111.494 167.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.2 143.9 28.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 CA-C-O 122.001 0.905 . . . . 0.0 110.533 -170.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.46 111.23 5.85 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 125.341 1.456 . . . . 0.0 113.246 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.35 -32.14 73.62 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.124 -1.61 . . . . 0.0 114.202 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.92 81.98 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.9 159.24 33.0 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 124.15 1.929 . . . . 0.0 115.838 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 p -91.91 159.34 38.21 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 127.123 2.169 . . . . 0.0 107.36 169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -73.26 -4.24 15.07 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 CA-C-N 122.774 2.026 . . . . 0.0 113.236 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -75.02 -31.95 61.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.048 0.939 . . . . 0.0 111.798 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -54.51 -35.48 63.21 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.302 -1.499 . . . . 0.0 113.624 174.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.1 mt -98.17 1.52 47.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.678 1.191 . . . . 0.0 112.707 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 46.32 60.81 3.05 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.743 1.617 . . . . 0.0 114.525 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.77 170.57 11.61 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.894 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -132.61 -90.1 0.41 Allowed 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.648 1.179 . . . . 0.0 109.624 -161.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.27 171.85 7.66 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.481 0.712 . . . . 0.0 109.749 156.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.91 17.38 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 124.43 1.014 . . . . 0.0 111.941 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.26 101.64 0.44 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.617 1.967 . . . . 0.0 115.117 -166.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.6 p -80.65 103.32 10.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.922 -1.112 . . . . 0.0 111.745 176.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 tt -101.32 120.7 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -90.41 115.95 27.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 123.332 1.539 . . . . 0.0 110.294 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -110.41 110.25 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.031 -1.668 . . . . 0.0 111.238 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -85.04 91.43 8.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.576 -1.328 . . . . 0.0 109.29 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -85.6 131.52 34.34 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.345 -0.847 . . . . 0.0 110.388 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -169.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 118.705 2.854 . . . . 0.0 118.705 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -151.63 162.48 40.91 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.205 -1.559 . . . . 0.0 115.134 -160.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 pt -102.6 166.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 124.509 1.124 . . . . 0.0 109.031 168.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.03 97.03 3.63 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.004 -1.06 . . . . 0.0 109.972 -165.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.39 121.72 25.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.882 -1.136 . . . . 0.0 111.073 -172.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -109.24 95.59 5.73 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.075 1.35 . . . . 0.0 107.661 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 t -101.52 114.32 40.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.04 -1.037 . . . . 0.0 109.988 -172.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.53 103.4 13.08 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.276 -0.89 . . . . 0.0 111.99 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.22 137.34 16.28 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.838 -1.788 . . . . 0.0 113.675 173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -27.96 65.4 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.377 1.471 . . . . 0.0 112.904 175.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.23 22.64 0.21 Allowed 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.79 2.436 . . . . 0.0 114.045 172.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 66.53 22.99 10.51 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 126.689 1.996 . . . . 0.0 113.576 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.37 87.31 4.1 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.779 -1.201 . . . . 0.0 110.618 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -99.32 113.54 34.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 120.916 -1.115 . . . . 0.0 108.988 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -127.87 146.16 33.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.93 -1.106 . . . . 0.0 111.793 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -118.95 134.62 55.07 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.816 1.246 . . . . 0.0 111.459 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.16 159.25 41.32 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.593 0.757 . . . . 0.0 109.801 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -128.9 134.09 48.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.138 -1.601 . . . . 0.0 113.763 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -121.49 148.8 24.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.234 -1.541 . . . . 0.0 109.231 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.37 146.53 40.78 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.077 -1.639 . . . . 0.0 113.212 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -80.27 42.12 0.56 Allowed 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.608 1.706 . . . . 0.0 115.608 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -132.77 -43.22 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.839 1.655 . . . . 0.0 109.719 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -74.36 125.66 89.66 Favored Pre-proline 0 C--N 1.35 0.59 0 C-N-CA 125.021 1.328 . . . . 0.0 111.432 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.98 160.52 42.9 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 CA-C-N 123.364 2.237 . . . . 0.0 112.496 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.75 -35.42 80.67 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.206 1.403 . . . . 0.0 112.985 -170.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -42.97 -46.77 5.56 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.38 2.272 . . . . 0.0 116.484 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -65.38 -37.69 87.75 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.294 -1.503 . . . . 0.0 112.831 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.98 -40.06 83.18 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.938 -1.101 . . . . 0.0 111.208 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.0 mmt -55.47 -50.55 69.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.299 1.04 . . . . 0.0 112.85 171.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.86 -55.36 35.4 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 121.028 -1.045 . . . . 0.0 112.714 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.879 1.272 . . . . 0.0 114.204 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -66.03 -40.74 91.28 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.857 -1.152 . . . . 0.0 112.902 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.23 -54.69 40.95 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.618 -1.301 . . . . 0.0 112.971 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.38 -42.6 98.97 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.923 1.289 . . . . 0.0 112.788 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -67.4 -40.67 85.63 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.172 -1.58 . . . . 0.0 113.254 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.06 -45.36 85.69 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 121.143 -0.973 . . . . 0.0 112.546 172.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.46 34.62 1.41 Allowed Glycine 0 C--N 1.345 1.071 0 C-N-CA 124.404 1.002 . . . . 0.0 112.653 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.4 -177.12 4.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.434 1.094 . . . . 0.0 109.547 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -140.1 168.0 20.82 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 120.304 -1.498 . . . . 0.0 110.463 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 tpt -66.64 -25.54 66.63 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 -166.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -66.62 -16.17 63.99 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -91.79 -0.87 9.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.671 -1.268 . . . . 0.0 112.074 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.6 t -110.98 109.08 27.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 O-C-N 120.612 -1.305 . . . . 0.0 110.938 -170.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.69 96.49 7.96 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.668 -1.895 . . . . 0.0 108.982 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -88.84 139.86 30.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.307 -0.871 . . . . 0.0 110.74 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -134.43 131.52 38.26 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.624 -1.297 . . . . 0.0 111.004 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -104.45 115.28 30.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.56 25.45 13.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.122 1.439 . . . . 0.0 114.533 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.0 -1.81 86.86 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 120.062 -1.649 . . . . 0.0 114.513 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -118.73 171.06 5.64 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 124.965 1.306 . . . . 0.0 111.095 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.95 168.61 24.37 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 121.911 1.718 . . . . 0.0 112.377 166.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.85 151.99 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.27 125.86 35.64 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.22 -1.55 . . . . 0.0 111.535 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.82 -23.53 67.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.278 1.831 . . . . 0.0 115.112 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.26 -32.22 24.54 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.712 1.205 . . . . 0.0 112.648 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -75.53 162.37 28.36 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 122.73 1.252 . . . . 0.0 112.5 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 p -100.87 152.62 37.89 Favored Pre-proline 0 C--N 1.349 0.575 0 O-C-N 120.022 -1.674 . . . . 0.0 111.865 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 -16.87 31.74 Favored 'Trans proline' 0 CA--C 1.52 -0.179 0 C-N-CA 122.317 2.011 . . . . 0.0 111.563 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 m -76.69 -35.34 57.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 126.426 1.89 . . . . 0.0 110.431 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.9 m -65.22 -43.39 91.61 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.865 -1.147 . . . . 0.0 111.815 169.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.62 -47.58 39.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.312 70.9 mt-10 74.86 66.63 0.08 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.274 1.829 . . . . 0.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 mmt -115.07 11.07 16.32 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.697 1.199 . . . . 0.0 111.402 174.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.281 23.5 tt0 58.32 -108.19 0.4 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.264 1.426 . . . . 0.0 114.147 -168.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.54 135.71 13.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.345 1.069 . . . . 0.0 110.036 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.79 48.18 0.11 Allowed Glycine 0 CA--C 1.493 -1.291 0 O-C-N 120.205 -1.559 . . . . 0.0 110.057 -176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 92.12 4.7 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 129.568 3.147 . . . . 0.0 111.973 -156.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -86.07 129.46 34.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.437 -1.414 . . . . 0.0 113.718 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 tt -145.53 132.46 15.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 120.124 -1.61 . . . . 0.0 110.716 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.94 142.68 30.13 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.975 -1.703 . . . . 0.0 110.979 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.04 116.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 CA-C-O 122.519 1.152 . . . . 0.0 112.107 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.29 96.32 10.21 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.616 -1.303 . . . . 0.0 111.266 174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 129.63 36.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.042 1.337 . . . . 0.0 110.213 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 C--N 1.348 0.54 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -176.232 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.298 2.2 tp10 . . . . . 0 C--O 1.235 0.334 0 N-CA-C 118.552 2.797 . . . . 0.0 118.552 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.2 139.54 50.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.52 1.528 . . . . 0.0 111.278 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 pt -97.38 154.96 3.66 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 O-C-N 121.334 -0.854 . . . . 0.0 110.878 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -101.68 113.06 25.87 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 110.807 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.63 114.54 26.89 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 121.289 -0.882 . . . . 0.0 109.723 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.2 111.93 24.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.124 1.369 . . . . 0.0 110.126 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.02 106.15 20.12 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 121.157 -0.964 . . . . 0.0 111.145 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.12 104.46 16.41 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.938 -1.101 . . . . 0.0 110.947 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.76 130.29 9.72 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 120.676 -1.265 . . . . 0.0 114.436 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -55.63 14.64 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.12 1.768 . . . . 0.0 112.503 170.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.47 23.25 0.41 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.091 2.557 . . . . 0.0 113.352 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 75.81 2.0 3.63 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 127.906 2.483 . . . . 0.0 114.789 167.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 108.53 16.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 121.029 -1.044 . . . . 0.0 111.278 174.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -110.65 133.26 56.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 O-C-N 120.596 -1.315 . . . . 0.0 109.903 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.2 m -133.55 164.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.727 -1.233 . . . . 0.0 110.003 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.67 133.74 19.29 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.315 -1.491 . . . . 0.0 110.625 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.57 162.53 23.86 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.748 -1.22 . . . . 0.0 111.864 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 142.37 51.55 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 121.317 -0.865 . . . . 0.0 110.685 169.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.26 148.66 17.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 O-C-N 120.888 -1.133 . . . . 0.0 108.688 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.46 141.72 34.97 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.12 -1.612 . . . . 0.0 110.485 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -56.38 -20.53 19.79 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 -167.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -79.2 -20.76 47.55 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.058 1.743 . . . . 0.0 114.619 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.2 m -97.25 128.56 34.61 Favored Pre-proline 0 C--N 1.347 0.473 0 O-C-N 120.642 -1.286 . . . . 0.0 108.294 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.06 164.48 35.37 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 CA-C-N 123.092 2.14 . . . . 0.0 112.432 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.91 -41.18 95.78 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.357 1.063 . . . . 0.0 112.875 -165.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -35.36 -46.98 0.4 Allowed 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.105 2.562 . . . . 0.0 116.032 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -38.3 85.31 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.012 -1.68 . . . . 0.0 112.784 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.2 -47.47 50.34 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 121.163 -0.961 . . . . 0.0 111.337 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.84 -51.22 70.48 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.669 1.188 . . . . 0.0 113.544 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.8 -45.71 93.33 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.205 1.002 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.08 94.16 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.94 -47.07 81.92 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.963 -1.086 . . . . 0.0 113.377 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.77 -42.17 91.16 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.196 -1.565 . . . . 0.0 113.721 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.83 -55.35 33.57 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.215 1.406 . . . . 0.0 113.464 170.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -73.52 -33.7 64.89 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.903 -1.123 . . . . 0.0 112.046 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.59 42.37 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.143 -1.598 . . . . 0.0 112.966 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.95 4.52 22.61 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 121.169 -0.957 . . . . 0.0 113.063 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 129.14 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 120.837 -1.39 . . . . 0.0 110.697 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -89.2 127.38 35.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.275 -1.516 . . . . 0.0 109.474 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.0 tpt -62.68 -35.1 78.58 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -162.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.8 -2.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 O-C-N 120.921 -1.112 . . . . 0.0 113.131 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.16 121.83 62.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 O-C-N 121.063 -1.023 . . . . 0.0 109.181 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.31 116.63 32.23 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.233 -1.542 . . . . 0.0 110.982 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -125.58 132.39 52.55 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -135.46 148.41 49.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.493 -1.379 . . . . 0.0 112.451 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.74 120.46 35.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.037 1.335 . . . . 0.0 108.13 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 54.58 39.8 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 122.704 1.24 . . . . 0.0 113.338 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -7.67 78.08 Favored Glycine 0 C--N 1.351 1.38 0 O-C-N 120.313 -1.492 . . . . 0.0 116.071 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.49 157.13 66.24 Favored Pre-proline 0 C--N 1.347 0.497 0 CA-C-N 119.171 1.485 . . . . 0.0 110.927 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.27 150.66 65.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 CA-C-N 122.963 2.094 . . . . 0.0 111.7 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 tt -117.18 136.97 52.63 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-O 122.523 1.154 . . . . 0.0 110.916 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -98.53 120.71 39.43 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.989 -1.069 . . . . 0.0 109.606 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.56 -24.25 63.68 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -166.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -77.23 -29.4 54.1 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.652 -1.28 . . . . 0.0 114.267 -165.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -86.49 176.39 7.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.842 1.306 . . . . 0.0 112.56 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -98.89 149.25 35.57 Favored Pre-proline 0 C--N 1.347 0.479 0 O-C-N 119.646 -1.909 . . . . 0.0 113.816 -171.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.51 1.58 8.65 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.143 1.895 . . . . 0.0 111.961 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -81.34 -32.6 32.94 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.97 1.308 . . . . 0.0 111.372 171.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -71.17 -41.77 69.93 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 120.001 -1.687 . . . . 0.0 112.469 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.03 -12.97 61.82 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.294 69.8 mt-10 29.61 71.09 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 115.844 -163.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.8 tpp -92.97 151.25 20.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.92 -94.56 0.1 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.492 -1.38 . . . . 0.0 111.913 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.92 140.03 34.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 158.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.32 59.16 0.07 OUTLIER Glycine 0 CA--C 1.486 -1.774 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.73 85.14 5.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 122.98 1.372 . . . . 0.0 109.272 -163.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.0 p -86.97 114.7 23.8 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.941 1.696 . . . . 0.0 113.999 -172.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -119.65 134.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 O-C-N 121.002 -1.061 . . . . 0.0 110.547 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.13 138.99 31.02 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.242 -1.536 . . . . 0.0 108.866 171.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.29 122.47 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 122.819 1.295 . . . . 0.0 109.653 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -106.05 108.77 20.45 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.598 -1.314 . . . . 0.0 108.057 170.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -94.48 152.5 18.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 120.65 -1.281 . . . . 0.0 108.724 168.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.449 -0.493 0 O-C-N 119.648 -1.907 . . . . 0.0 112.901 177.246 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 . . . . . 0 C--O 1.235 0.324 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -119.73 161.45 20.72 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.853 -1.155 . . . . 0.0 112.997 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -130.68 143.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 124.41 1.084 . . . . 0.0 109.17 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -99.74 148.66 24.15 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.687 -1.258 . . . . 0.0 113.076 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.19 151.68 37.92 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.372 1.069 . . . . 0.0 109.236 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.16 117.91 29.94 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.79 1.236 . . . . 0.0 110.291 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.6 121.3 61.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.569 -1.332 . . . . 0.0 110.016 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.02 99.45 9.2 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.124 -0.985 . . . . 0.0 110.903 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.29 132.69 12.95 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.204 -1.56 . . . . 0.0 114.057 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -10.69 60.05 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.767 -1.431 . . . . 0.0 112.697 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -85.71 5.56 31.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.672 2.389 . . . . 0.0 112.174 168.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 80.33 14.06 0.84 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 129.493 3.117 . . . . 0.0 113.376 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.07 76.93 8.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.214 -1.554 . . . . 0.0 112.348 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.48 117.3 30.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 O-C-N 120.267 -1.52 . . . . 0.0 110.109 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.44 160.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.968 -1.083 . . . . 0.0 110.256 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -150.84 145.25 25.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.835 -1.79 . . . . 0.0 112.292 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -141.64 165.21 28.1 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 109.678 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -125.81 146.09 49.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.75 0.786 . . . . 0.0 111.744 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.27 156.94 30.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 121.286 -0.883 . . . . 0.0 111.071 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.2 146.56 36.94 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.615 -1.303 . . . . 0.0 110.864 170.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -51.19 -45.21 61.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.702 2.001 . . . . 0.0 115.757 -171.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -2.0 58.31 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.808 1.643 . . . . 0.0 115.057 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.4 m -87.73 119.0 70.45 Favored Pre-proline 0 C--N 1.344 0.363 0 O-C-N 119.563 -1.961 . . . . 0.0 109.958 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.63 157.72 40.0 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.575 1.955 . . . . 0.0 112.836 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.93 -41.03 97.76 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.58 1.152 . . . . 0.0 112.793 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -42.56 -41.23 2.94 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 128.295 2.638 . . . . 0.0 115.955 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -24.53 62.84 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.077 -1.64 . . . . 0.0 112.9 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 tt -86.18 -45.49 11.29 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.272 1.029 . . . . 0.0 110.615 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.5 mmt -57.4 -48.61 78.64 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 120.51 -1.369 . . . . 0.0 113.882 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.3 -32.85 73.29 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.537 -1.352 . . . . 0.0 111.345 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.01 71.6 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.511 -1.368 . . . . 0.0 113.467 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -56.09 -53.01 62.13 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.884 -1.135 . . . . 0.0 112.086 172.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.6 -45.34 70.02 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.334 1.054 . . . . 0.0 113.701 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -50.56 46.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.028 1.731 . . . . 0.0 113.976 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.1 -42.28 56.93 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.982 -1.699 . . . . 0.0 113.16 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.61 -31.35 61.98 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.387 -1.446 . . . . 0.0 111.923 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.79 60.07 1.82 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 121.248 -0.907 . . . . 0.0 111.735 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.17 163.69 32.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.099 0.952 . . . . 0.0 111.284 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -88.45 146.02 25.45 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.743 -1.223 . . . . 0.0 108.584 172.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.23 -23.81 64.85 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.355 -1.466 . . . . 0.0 111.604 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -59.81 -27.52 66.66 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -96.69 -0.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.475 -1.391 . . . . 0.0 112.145 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.13 107.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.972 1.309 . . . . 0.0 108.031 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -123.49 107.29 11.41 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.479 -2.013 . . . . 0.0 111.02 -170.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -109.35 147.88 32.0 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -169.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 144.4 50.45 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.85 1.26 . . . . 0.0 109.743 175.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -124.11 115.78 21.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.416 1.886 . . . . 0.0 108.08 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 59.55 26.81 15.87 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 123.175 1.464 . . . . 0.0 112.826 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.5 -25.45 20.78 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 119.974 -1.704 . . . . 0.0 114.016 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -89.91 159.15 43.55 Favored Pre-proline 0 C--N 1.341 0.238 0 O-C-N 120.603 -1.528 . . . . 0.0 110.22 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -71.2 150.4 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 CA-C-N 123.561 2.307 . . . . 0.0 110.967 160.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 tt -107.07 164.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 O-C-N 121.301 -0.875 . . . . 0.0 108.738 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -117.18 153.27 33.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.866 -1.146 . . . . 0.0 108.253 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -106.12 -4.63 20.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -163.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.09 -36.93 58.71 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 119.33 -2.106 . . . . 0.0 115.799 -166.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.52 169.1 16.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.187 1.795 . . . . 0.0 114.691 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.7 p -87.76 147.86 42.32 Favored Pre-proline 0 C--N 1.351 0.65 0 O-C-N 120.454 -1.404 . . . . 0.0 108.117 165.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.03 -3.04 13.15 Favored 'Trans proline' 0 C--N 1.332 -0.298 0 C-N-CA 121.997 1.798 . . . . 0.0 113.526 -167.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -68.12 -26.36 65.76 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.756 -1.215 . . . . 0.0 114.237 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -76.28 -1.44 26.58 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.572 -1.33 . . . . 0.0 113.8 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -91.03 -24.44 20.06 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.923 -1.111 . . . . 0.0 112.499 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.263 75.2 mt-10 43.98 74.73 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.707 2.403 . . . . 0.0 116.699 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 tpp -127.25 -6.18 5.98 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.835 -1.165 . . . . 0.0 113.052 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.298 30.3 tt0 57.28 -88.84 0.02 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.272 1.429 . . . . 0.0 114.808 -153.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.26 176.89 11.21 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.684 -1.26 . . . . 0.0 110.859 -175.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.07 37.48 15.5 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 120.938 -1.101 . . . . 0.0 111.688 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.29 129.18 36.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.855 1.262 . . . . 0.0 111.137 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 p -109.88 90.76 3.4 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.604 1.192 . . . . 0.0 113.986 -163.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -101.85 141.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 O-C-N 119.966 -1.708 . . . . 0.0 111.252 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -109.02 150.34 27.91 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 119.962 -1.711 . . . . 0.0 110.605 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.68 130.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 122.95 1.357 . . . . 0.0 112.927 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.0 122.9 29.4 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 119.86 -1.775 . . . . 0.0 109.499 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -127.44 145.26 50.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 C--N 1.349 0.567 0 O-C-N 120.139 -1.601 . . . . 0.0 114.878 -172.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 123.661 1.696 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -147.37 -179.54 6.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.404 -1.435 . . . . 0.0 110.484 -172.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 pt -127.8 142.89 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 120.76 -1.213 . . . . 0.0 108.328 161.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -92.61 99.81 12.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 165.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.19 133.07 40.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.303 -1.498 . . . . 0.0 111.653 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -91.75 112.73 24.77 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.928 -1.107 . . . . 0.0 111.007 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 t -110.71 112.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.748 0.819 . . . . 0.0 110.667 -170.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.39 119.8 39.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.198 -0.939 . . . . 0.0 110.732 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.41 147.9 16.93 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 123.108 1.393 . . . . 0.0 114.622 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.08 -16.0 62.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.564 1.546 . . . . 0.0 113.656 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -92.2 17.08 10.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.115 1.766 . . . . 0.0 112.119 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.54 16.19 1.58 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.336 2.254 . . . . 0.0 112.352 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 139.55 37.03 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 120.227 -1.546 . . . . 0.0 112.563 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.52 111.44 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 168.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.65 169.57 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 O-C-N 121.088 -1.007 . . . . 0.0 108.91 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -157.05 144.35 18.77 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.333 -1.479 . . . . 0.0 109.297 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -140.73 154.66 46.41 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 121.303 -0.873 . . . . 0.0 111.325 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -101.94 123.52 45.99 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 121.139 -0.976 . . . . 0.0 112.383 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.48 139.85 50.53 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 124.162 0.985 . . . . 0.0 109.713 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -62.89 144.37 56.76 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.06 -1.65 . . . . 0.0 111.501 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -66.26 -33.63 76.17 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.84 -1.788 . . . . 0.0 113.633 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -84.09 0.6 47.73 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 p -101.87 143.7 27.11 Favored Pre-proline 0 C--N 1.355 0.82 0 O-C-N 119.3 -2.125 . . . . 0.0 112.226 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.23 165.68 25.44 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.401 2.068 . . . . 0.0 114.397 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.11 -47.7 34.47 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.842 1.257 . . . . 0.0 114.132 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -40.27 -47.74 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.65 -48.5 72.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 113.193 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.89 -42.66 80.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.84 1.256 . . . . 0.0 111.471 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 95.5 mtp -56.34 -52.69 63.63 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.59 1.156 . . . . 0.0 112.829 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -64.01 -46.78 82.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.87 78.24 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -71.47 -41.77 68.95 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.067 -1.021 . . . . 0.0 112.528 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.3 m -59.08 -49.8 76.48 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.64 -1.288 . . . . 0.0 113.733 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.02 -33.69 71.03 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -73.74 -48.02 34.91 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.276 -1.515 . . . . 0.0 113.73 173.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.27 -35.46 77.34 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.944 -1.098 . . . . 0.0 112.039 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 4.07 58.75 Favored Glycine 0 CA--C 1.495 -1.189 0 O-C-N 121.143 -0.973 . . . . 0.0 112.825 166.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.07 -178.97 6.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.089 1.423 . . . . 0.0 113.916 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -110.29 114.62 28.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 120.593 -1.317 . . . . 0.0 109.856 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.1 ttm -59.86 -39.63 85.85 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -167.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -58.68 -30.4 67.34 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.5 11.04 2.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.07 -1.019 . . . . 0.0 112.389 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.08 108.7 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.576 1.551 . . . . 0.0 107.766 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -103.55 155.94 18.15 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 119.568 -1.957 . . . . 0.0 110.623 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -136.49 120.11 17.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.565 -0.709 . . . . 0.0 110.64 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.88 151.15 30.8 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.349 -1.469 . . . . 0.0 111.269 170.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -131.43 102.04 5.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.939 -1.101 . . . . 0.0 108.129 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 54.69 71.68 0.51 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.67 1.588 . . . . 0.0 113.421 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 -57.19 3.68 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 120.407 -1.433 . . . . 0.0 114.402 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -77.19 154.9 82.4 Favored Pre-proline 0 N--CA 1.444 -0.73 0 C-N-CA 125.78 1.632 . . . . 0.0 113.305 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.6 148.87 73.28 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.26 1.973 . . . . 0.0 111.254 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.13 144.12 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 122.074 0.94 . . . . 0.0 112.926 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -88.74 140.06 29.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.541 -1.35 . . . . 0.0 108.875 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -95.61 -21.57 18.15 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.811 1.244 . . . . 0.0 111.86 -168.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.0 -38.55 20.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.123 1.369 . . . . 0.0 113.436 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.43 171.74 12.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 123.604 1.669 . . . . 0.0 114.371 -174.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.3 p -104.76 156.44 35.96 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 125.491 1.516 . . . . 0.0 109.652 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 -6.88 19.76 Favored 'Trans proline' 0 C--N 1.332 -0.338 0 CA-C-N 122.303 1.858 . . . . 0.0 112.873 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 p -72.08 -35.2 69.19 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.053 1.297 . . . . 0.0 111.845 164.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -70.38 -17.47 63.04 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 119.712 -1.867 . . . . 0.0 113.531 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.56 8.63 17.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.398 1.079 . . . . 0.0 111.198 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.307 44.7 mt-10 23.92 75.42 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.888 2.475 . . . . 0.0 117.554 -164.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.1 mmt -98.89 166.38 11.32 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.422 1.089 . . . . 0.0 111.739 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -102.71 -70.25 0.76 Allowed 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.744 -1.223 . . . . 0.0 114.041 -157.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 166.83 134.49 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.16 2.184 . . . . 0.0 107.665 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.45 22.96 78.09 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 120.423 -1.423 . . . . 0.0 113.446 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.18 137.38 48.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.584 1.153 . . . . 0.0 111.388 -170.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.2 p -93.76 118.8 31.9 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.128 -1.608 . . . . 0.0 114.874 -164.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -111.58 142.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 123.826 0.85 . . . . 0.0 109.46 170.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 148.12 26.64 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.316 -1.49 . . . . 0.0 109.808 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 t -124.05 131.03 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 122.476 1.131 . . . . 0.0 109.419 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -112.81 86.15 2.31 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 120.859 -1.151 . . . . 0.0 109.725 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 152.07 19.06 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.561 -1.337 . . . . 0.0 111.24 170.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 123.079 1.419 . . . . 0.0 113.205 170.673 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 1.5 t-160 -160.17 67.31 0.36 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 120.901 1.682 . . . . 0.0 111.595 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -58.96 158.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.93 141.09 37.92 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.045 -1.659 . . . . 0.0 110.326 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.75 153.06 46.03 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 164.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -121.9 135.48 54.88 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.234 -0.916 . . . . 0.0 109.276 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.17 112.78 39.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 O-C-N 120.488 -1.382 . . . . 0.0 110.748 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -94.97 104.94 16.83 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.592 1.157 . . . . 0.0 109.77 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.56 129.8 9.94 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 120.196 -1.565 . . . . 0.0 111.288 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.1 -23.53 67.18 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.272 -1.134 . . . . 0.0 114.013 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.28 44.2 0.07 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.29 -1.506 . . . . 0.0 112.585 160.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 66.79 -26.78 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.335 2.654 . . . . 0.0 117.464 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.53 112.49 6.07 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.61 125.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.652 -1.28 . . . . 0.0 109.599 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -135.03 140.5 45.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.609 -1.307 . . . . 0.0 109.094 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -106.83 152.86 23.32 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.548 -1.345 . . . . 0.0 110.525 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -147.96 167.02 25.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.136 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE3' ' CG ' ' A' ' 12' ' ' HIS . 26.8 mtmt -115.11 148.1 39.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.002 -1.061 . . . . 0.0 110.265 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.8 tt -140.78 -179.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -115.57 138.41 51.08 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 119.555 -1.965 . . . . 0.0 107.683 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.2 -6.31 38.58 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.718 2.007 . . . . 0.0 113.692 -165.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.47 -23.79 67.4 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.467 1.507 . . . . 0.0 113.626 163.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.72 132.02 50.29 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 120.298 -1.501 . . . . 0.0 112.491 -166.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.15 165.09 32.79 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 CA-C-N 123.324 2.223 . . . . 0.0 112.382 170.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.03 -41.19 64.48 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 121.148 -0.97 . . . . 0.0 112.509 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -50.58 -45.88 57.53 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -55.19 -42.81 73.75 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.404 -1.435 . . . . 0.0 113.85 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.84 -45.37 82.46 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.872 -1.143 . . . . 0.0 112.028 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.7 mtm -63.06 -48.67 77.69 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 120.975 -1.078 . . . . 0.0 113.875 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -61.45 -35.05 76.51 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.437 -0.789 . . . . 0.0 113.065 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.64 55.26 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.537 -1.352 . . . . 0.0 112.823 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -60.71 -48.31 82.36 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.358 -1.464 . . . . 0.0 114.507 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.818 -1.177 . . . . 0.0 113.636 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.54 -26.63 60.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -69.34 -41.57 76.46 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.089 -2.257 . . . . 0.0 111.866 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.0 38.96 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.717 170.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.15 47.24 0.89 Allowed Glycine 0 CA--C 1.499 -0.934 0 C-N-CA 125.293 1.425 . . . . 0.0 111.311 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.64 165.76 25.59 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.285 -1.126 . . . . 0.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -89.97 129.84 36.25 Favored 'General case' 0 CA--C 1.506 -0.73 0 O-C-N 120.853 -1.154 . . . . 0.0 111.598 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.16 -33.4 67.38 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.93 -24.69 54.45 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.64 -24.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 119.675 -1.891 . . . . 0.0 111.809 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.49 103.03 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 126.223 1.809 . . . . 0.0 110.448 -170.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.97 102.35 13.35 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.394 -2.067 . . . . 0.0 111.817 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -89.02 144.38 26.2 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.629 1.171 . . . . 0.0 112.243 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -137.67 153.72 49.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 121.094 -1.004 . . . . 0.0 110.043 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -139.78 136.54 34.2 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.432 -1.418 . . . . 0.0 109.132 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.01 36.14 21.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 123.321 1.534 . . . . 0.0 113.852 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 -30.75 6.21 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.57 -1.331 . . . . 0.0 114.367 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -112.55 163.22 18.37 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.294 -1.121 . . . . 0.0 112.331 -159.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.1 168.09 25.65 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.879 2.386 . . . . 0.0 111.228 170.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 tp -137.02 138.48 45.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-O 122.617 1.198 . . . . 0.0 111.849 -174.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -79.83 121.63 25.64 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.83 -1.169 . . . . 0.0 110.928 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -74.99 -6.41 49.2 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -167.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -77.15 -30.52 55.08 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.633 1.173 . . . . 0.0 113.563 -175.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -74.78 168.31 20.11 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.837 1.303 . . . . 0.0 113.147 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.2 p -113.37 153.87 45.51 Favored Pre-proline 0 C--O 1.234 0.28 0 O-C-N 120.299 -1.501 . . . . 0.0 111.074 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.52 -8.32 20.46 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 121.836 1.691 . . . . 0.0 112.178 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 p -71.73 -31.11 66.35 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.318 1.847 . . . . 0.0 111.907 169.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -51.78 15.74 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.764 1.269 . . . . 0.0 110.67 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.26 -43.98 97.99 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.788 1.635 . . . . 0.0 114.175 -176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.26 47.4 mt-10 69.52 46.92 0.7 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.018 1.327 . . . . 0.0 111.508 -169.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 ptp -76.59 160.7 29.2 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.769 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -110.25 164.43 12.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 123.246 1.498 . . . . 0.0 111.053 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.42 55.14 0.23 Allowed 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 119.383 -2.073 . . . . 0.0 113.962 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.66 17.19 0.05 OUTLIER Glycine 0 CA--C 1.498 -0.973 0 O-C-N 119.8 -1.813 . . . . 0.0 114.697 171.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -85.3 135.14 34.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.783 1.292 . . . . 0.0 114.242 -159.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -84.39 118.83 24.5 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.961 1.304 . . . . 0.0 113.493 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -97.58 138.55 22.12 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.961 -1.087 . . . . 0.0 109.059 163.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 145.13 26.75 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.49 -1.381 . . . . 0.0 109.644 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.7 107.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 122.725 1.25 . . . . 0.0 109.539 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -85.03 95.08 8.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.716 1.207 . . . . 0.0 110.742 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.3 158.67 26.07 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 124.761 1.224 . . . . 0.0 112.547 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--N 1.348 0.518 0 O-C-N 120.765 -1.209 . . . . 0.0 111.529 -179.113 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 121.654 0.74 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -168.94 103.39 0.39 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.039 1.335 . . . . 0.0 108.819 -166.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 pt -99.04 152.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 119.651 -1.905 . . . . 0.0 112.843 -164.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -91.43 132.95 35.88 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.16 0.984 . . . . 0.0 112.465 -172.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 138.17 49.13 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.12 1.368 . . . . 0.0 107.936 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -118.55 117.07 27.99 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.15 -1.594 . . . . 0.0 111.99 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.69 119.63 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 120.577 -1.327 . . . . 0.0 109.565 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.93 100.58 10.12 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.135 0.974 . . . . 0.0 110.411 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.1 139.28 15.59 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 120.171 -1.58 . . . . 0.0 113.878 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -68.67 -7.7 35.76 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.291 -1.711 . . . . 0.0 113.564 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.78 -3.29 43.64 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.347 -2.096 . . . . 0.0 112.716 166.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 93.77 2.01 0.07 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 129.85 3.26 . . . . 0.0 111.874 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 121.95 25.72 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.762 -1.837 . . . . 0.0 112.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -114.9 109.76 29.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.932 -1.105 . . . . 0.0 109.216 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.51 130.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 O-C-N 120.797 -1.189 . . . . 0.0 110.676 -171.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -97.52 127.69 43.68 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.542 -1.349 . . . . 0.0 112.079 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -116.78 -175.26 2.73 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.359 1.464 . . . . 0.0 108.736 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -146.15 133.0 20.09 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 119.832 -1.792 . . . . 0.0 111.756 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.82 138.22 49.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 O-C-N 120.263 -1.523 . . . . 0.0 111.527 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -72.07 109.65 6.01 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.289 -2.132 . . . . 0.0 109.34 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -72.26 49.74 0.2 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -140.2 -48.63 0.45 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.3 2.24 . . . . 0.0 107.043 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -76.88 128.08 82.35 Favored Pre-proline 0 C--N 1.347 0.49 0 CA-C-O 117.089 -1.434 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.13 176.25 9.81 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.596 2.197 . . . . 0.0 113.436 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' H ' HD22 ' A' ' 35' ' ' LEU . 2.4 mm? -51.82 -36.24 47.23 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.773 2.429 . . . . 0.0 114.73 -169.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -41.7 -47.09 3.94 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.597 1.959 . . . . 0.0 115.543 172.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -62.09 -38.48 89.0 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.683 -1.261 . . . . 0.0 112.706 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.23 -55.88 6.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.351 -0.843 . . . . 0.0 110.923 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.3 mtm -67.75 -34.08 76.13 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -172.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.38 -44.5 71.35 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.025 -1.672 . . . . 0.0 110.413 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.71 98.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.793 -1.817 . . . . 0.0 114.315 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.44 8.46 5.1 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.02 -70.03 0.66 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.616 -1.302 . . . . 0.0 108.905 156.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.83 -50.69 71.27 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -170.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -86.0 9.08 18.12 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.477 -1.39 . . . . 0.0 112.758 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.97 -48.28 5.48 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 121.095 -1.003 . . . . 0.0 109.339 159.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.52 29.41 1.18 Allowed Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.494 1.521 . . . . 0.0 113.515 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -135.12 -175.45 3.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.756 1.223 . . . . 0.0 108.762 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.7 m -134.03 164.07 28.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 108.989 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -31.95 31.3 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 120.138 -1.601 . . . . 0.0 112.01 -171.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -54.51 -20.44 7.77 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.82 -0.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 119.989 -1.694 . . . . 0.0 113.788 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.5 t -107.14 142.12 20.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.701 -1.249 . . . . 0.0 109.259 -177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.15 137.99 50.62 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 119.359 -2.088 . . . . 0.0 107.937 167.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.18 151.98 36.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 120.498 -1.376 . . . . 0.0 111.513 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.6 150.8 45.43 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.44 -0.787 . . . . 0.0 111.511 177.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -127.81 129.91 47.79 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 57.94 24.06 10.57 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 123.882 1.801 . . . . 0.0 113.177 -168.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -0.31 82.8 Favored Glycine 0 C--N 1.349 1.251 0 O-C-N 119.467 -2.02 . . . . 0.0 114.775 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -111.8 155.26 43.45 Favored Pre-proline 0 N--CA 1.451 -0.396 0 O-C-N 120.772 -1.428 . . . . 0.0 112.36 -175.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.92 105.01 1.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.512 2.141 . . . . 0.0 111.711 166.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.5 162.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 125.186 1.394 . . . . 0.0 110.986 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -82.71 158.01 23.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.445 -2.034 . . . . 0.0 112.454 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -32.2 34.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 119.831 -1.793 . . . . 0.0 111.356 169.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.57 35.71 1.11 Allowed 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 120.422 -1.424 . . . . 0.0 111.113 168.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.92 170.89 15.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 119.706 -1.871 . . . . 0.0 112.242 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.4 p -116.99 133.14 23.14 Favored Pre-proline 0 C--N 1.344 0.334 0 O-C-N 121.096 -1.002 . . . . 0.0 110.531 -169.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.98 20.77 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.944 2.43 . . . . 0.0 113.312 -168.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -73.82 -42.78 60.41 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.637 -1.29 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 m -71.63 -7.04 45.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.561 -1.337 . . . . 0.0 114.07 177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.79 -7.77 59.63 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.757 1.223 . . . . 0.0 111.399 175.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 63.99 17.82 10.83 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.17 1.388 . . . . 0.0 114.081 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . 0.375 18.6 ptp 42.86 58.14 3.33 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -161.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.88 -169.95 2.83 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.828 -1.17 . . . . 0.0 110.899 169.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.14 158.35 42.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 120.645 -1.284 . . . . 0.0 108.648 162.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.97 27.79 13.2 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 120.637 -1.289 . . . . 0.0 111.15 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.04 102.69 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 130.311 3.444 . . . . 0.0 114.456 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 p -82.88 100.93 10.67 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.306 -1.496 . . . . 0.0 113.18 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 tt -98.46 125.1 51.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 122.403 1.097 . . . . 0.0 109.908 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 138.76 31.31 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.056 -1.652 . . . . 0.0 110.599 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -126.99 129.32 71.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.067 0.937 . . . . 0.0 113.113 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -117.7 161.13 20.18 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.78 1.632 . . . . 0.0 108.666 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -128.95 171.74 12.03 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 123.133 1.444 . . . . 0.0 114.057 -161.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 124.334 1.054 . . . . 0.0 112.482 168.664 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 CA--C 1.534 0.329 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -120.42 163.08 18.44 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.312 -1.493 . . . . 0.0 114.152 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.09 169.52 20.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 108.258 161.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -136.02 86.56 2.24 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.164 -0.96 . . . . 0.0 110.994 -164.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.9 140.73 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 122.644 1.211 . . . . 0.0 114.095 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -114.58 103.84 11.41 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 126.671 1.989 . . . . 0.0 107.862 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -104.42 109.4 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 120.975 -1.078 . . . . 0.0 110.123 -170.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.82 100.87 10.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.782 -1.199 . . . . 0.0 110.686 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.43 121.39 9.93 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 120.904 -1.123 . . . . 0.0 111.201 169.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.79 -12.1 61.35 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.704 1.24 . . . . 0.0 114.086 -173.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -73.33 -21.81 60.46 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.253 2.221 . . . . 0.0 112.74 167.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 108.9 13.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 1 C-N-CA 131.709 4.003 . . . . 0.0 110.39 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 74.65 10.09 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.074 -1.641 . . . . 0.0 112.373 172.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.97 109.99 13.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 O-C-N 119.644 -1.91 . . . . 0.0 111.217 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.11 175.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.779 -1.201 . . . . 0.0 110.696 -175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.37 159.77 34.21 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 119.816 -1.802 . . . . 0.0 110.155 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -164.29 -171.44 2.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.055 0.542 . . . . 0.0 109.62 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -129.53 153.19 48.27 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.829 -1.169 . . . . 0.0 110.878 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.9 tt -134.35 161.25 40.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -83.65 144.76 29.19 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.315 -1.491 . . . . 0.0 108.34 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -67.95 -24.97 65.23 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.572 -1.955 . . . . 0.0 114.057 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -27.61 61.65 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.95 1.3 . . . . 0.0 114.221 176.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -96.15 141.71 23.53 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 119.551 -1.968 . . . . 0.0 112.36 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.14 162.08 26.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.608 1.539 . . . . 0.0 112.172 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.33 -34.38 78.19 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.778 1.231 . . . . 0.0 113.067 -170.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -50.77 -41.49 56.9 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.48 1.512 . . . . 0.0 114.567 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.982 1.313 . . . . 0.0 113.038 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.33 -34.63 23.65 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.38 -1.45 . . . . 0.0 111.98 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.8 mmt -56.65 -46.45 81.03 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.08 -1.638 . . . . 0.0 113.028 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -67.56 -17.48 64.66 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.23 -56.1 4.95 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.619 -1.926 . . . . 0.0 111.306 168.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -34.86 79.46 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.04 -62.35 1.72 Allowed 'General case' 0 C--N 1.354 0.766 0 O-C-N 121.235 -0.915 . . . . 0.0 112.964 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.77 -28.54 62.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.234 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 119.828 -1.795 . . . . 0.0 113.403 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -45.35 52.57 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.413 1.085 . . . . 0.0 111.77 171.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 41.67 2.51 Favored Glycine 0 C--N 1.345 1.083 0 C-N-CA 125.164 1.364 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.94 -173.95 2.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 121.238 -1.154 . . . . 0.0 110.875 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 m -130.67 151.03 51.57 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.329 -1.482 . . . . 0.0 109.828 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.7 ttm -68.18 -36.35 79.46 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -166.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.63 4.78 0.97 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.42 -10.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 119.542 -1.974 . . . . 0.0 112.09 166.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -107.91 97.44 5.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.344 1.058 . . . . 0.0 109.823 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -114.26 112.4 23.06 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.432 -1.418 . . . . 0.0 112.166 -170.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -86.21 147.2 26.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.999 1.319 . . . . 0.0 113.475 -176.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -139.38 135.26 33.49 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.884 -1.135 . . . . 0.0 109.17 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -133.88 128.29 34.31 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.461 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 65.88 9.88 6.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.637 1.575 . . . . 0.0 113.517 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.88 -11.19 59.02 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 119.463 -2.023 . . . . 0.0 112.441 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -111.92 168.67 7.29 Favored Pre-proline 0 N--CA 1.451 -0.416 0 O-C-N 121.056 -1.261 . . . . 0.0 111.699 -171.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.36 165.84 31.5 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.975 1.783 . . . . 0.0 110.612 156.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -136.58 145.14 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -96.79 139.12 33.31 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.397 -1.439 . . . . 0.0 109.623 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -73.71 -6.24 45.61 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 -170.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -80.12 -32.58 39.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.532 1.533 . . . . 0.0 114.336 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -76.64 128.49 34.8 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.002 -1.061 . . . . 0.0 112.921 -171.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.4 p -95.06 154.89 39.52 Favored Pre-proline 0 C--N 1.348 0.513 0 O-C-N 120.444 -1.41 . . . . 0.0 110.373 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.27 -8.1 21.44 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.884 1.723 . . . . 0.0 112.448 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 p -70.83 -51.85 24.1 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.898 1.681 . . . . 0.0 111.004 163.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.4 m -66.85 -35.28 79.68 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.562 -1.337 . . . . 0.0 113.173 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.98 -8.65 59.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 33.96 20.95 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.993 1.717 . . . . 0.0 115.522 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.3 mmt -83.89 165.61 18.58 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.522 -1.986 . . . . 0.0 115.621 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.63 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.9 1.68 . . . . 0.0 113.47 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.54 155.96 20.32 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.08 -1.012 . . . . 0.0 110.794 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.68 45.95 1.17 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 125.308 1.432 . . . . 0.0 110.212 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.74 103.78 16.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 124.817 1.247 . . . . 0.0 113.831 -139.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.4 p -86.19 129.61 34.79 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.764 -1.835 . . . . 0.0 114.812 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.06 147.64 15.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -110.13 154.4 23.35 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 119.43 -2.044 . . . . 0.0 112.924 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.69 126.96 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-O 123.451 1.596 . . . . 0.0 111.785 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -91.95 98.85 11.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.088 -1.632 . . . . 0.0 109.434 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -109.97 157.53 19.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 162.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.028 -1.045 . . . . 0.0 109.516 173.223 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -153.9 -174.6 5.02 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.098 -1.626 . . . . 0.0 109.637 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -129.98 161.22 40.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.867 0.841 . . . . 0.0 109.414 164.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.71 153.41 18.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.462 1.905 . . . . 0.0 110.615 169.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.35 144.91 44.87 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.227 -0.92 . . . . 0.0 110.938 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -108.88 115.66 30.51 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.688 -1.257 . . . . 0.0 110.942 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -109.13 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-O 121.95 0.881 . . . . 0.0 109.728 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.37 103.33 15.98 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.344 -1.472 . . . . 0.0 111.583 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 124.49 7.08 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.475 -1.39 . . . . 0.0 114.611 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.25 -34.95 24.88 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.96 -5.61 39.78 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.367 -1.458 . . . . 0.0 114.795 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.293 22.8 m120 98.9 -7.62 0.04 OUTLIER 'General case' 0 C--N 1.349 0.563 0 C-N-CA 129.381 3.072 . . . . 0.0 113.452 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.19 75.61 3.75 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 119.933 -1.729 . . . . 0.0 112.585 170.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -79.54 127.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 C-N-CA 125.784 1.634 . . . . 0.0 109.716 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.22 153.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 CA-C-O 122.786 1.279 . . . . 0.0 112.314 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.76 122.78 47.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.708 -1.245 . . . . 0.0 109.845 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -107.22 166.3 10.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.571 1.176 . . . . 0.0 110.157 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -130.71 137.87 49.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 tt -143.49 140.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 O-C-N 120.716 -1.24 . . . . 0.0 110.152 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -78.32 139.37 38.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.319 -1.488 . . . . 0.0 109.213 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -62.9 -31.62 72.72 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -159.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -78.98 -12.03 60.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.4 m -84.17 125.95 71.06 Favored Pre-proline 0 C--N 1.344 0.353 0 O-C-N 120.215 -1.553 . . . . 0.0 111.5 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.35 149.83 51.5 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 CA-C-N 122.818 2.042 . . . . 0.0 111.987 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.0 -45.08 83.27 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.823 1.249 . . . . 0.0 112.933 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -38.83 -48.66 1.56 Allowed 'General case' 0 C--N 1.343 0.31 0 C-N-CA 128.254 2.621 . . . . 0.0 117.186 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.126 -0.983 . . . . 0.0 112.685 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -91.7 -52.32 4.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.504 -1.373 . . . . 0.0 110.198 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -50.03 75.29 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.184 1.394 . . . . 0.0 113.478 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -68.64 -24.57 64.56 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.417 -1.427 . . . . 0.0 113.329 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.26 77.74 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.564 -1.335 . . . . 0.0 112.185 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -67.19 -35.54 79.85 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.78 -1.825 . . . . 0.0 112.688 167.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.3 m -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.504 -1.372 . . . . 0.0 113.701 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -59.49 -48.84 80.11 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.378 1.071 . . . . 0.0 113.357 169.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -63.04 -43.93 97.32 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.463 1.105 . . . . 0.0 113.487 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.76 63.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.566 -1.334 . . . . 0.0 112.137 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.43 51.49 1.31 Allowed Glycine 0 C--N 1.345 1.075 0 C-N-CA 125.18 1.371 . . . . 0.0 110.851 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -148.54 -178.15 6.17 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 121.156 -1.202 . . . . 0.0 112.37 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.8 m -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.877 -1.139 . . . . 0.0 110.433 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.46 4.0 12.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.259 1.504 . . . . 0.0 114.068 -178.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.92 -63.55 1.06 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.66 1.984 . . . . 0.0 111.034 162.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.2 -41.4 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.551 1.14 . . . . 0.0 112.789 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.33 129.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 O-C-N 121.028 -1.045 . . . . 0.0 109.78 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -113.08 173.59 6.32 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.22 -1.55 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.69 159.44 44.52 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.902 -1.749 . . . . 0.0 112.521 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -139.94 149.54 43.43 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.622 1.169 . . . . 0.0 109.191 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -113.86 111.48 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.87 28.87 16.69 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.005 1.383 . . . . 0.0 113.656 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.08 60.8 Favored Glycine 0 C--N 1.357 1.715 0 O-C-N 120.376 -1.452 . . . . 0.0 114.338 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -112.42 162.95 19.09 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 120.651 -1.5 . . . . 0.0 113.274 -163.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.86 108.2 2.04 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 122.776 2.318 . . . . 0.0 114.372 173.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -84.31 157.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.517 162.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -106.75 144.66 33.09 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 119.96 -1.713 . . . . 0.0 110.462 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.24 -17.01 63.12 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.385 -2.072 . . . . 0.0 114.635 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -79.6 -11.0 59.89 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 119.908 -1.745 . . . . 0.0 113.641 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -68.88 159.7 32.07 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 122.706 1.241 . . . . 0.0 112.796 -175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.37 140.6 19.25 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 119.879 -1.763 . . . . 0.0 109.77 -171.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.34 -16.26 22.09 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 CA-C-N 122.051 1.768 . . . . 0.0 112.527 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.1 p -74.32 -17.68 60.81 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 120.307 1.412 . . . . 0.0 112.98 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 m -85.36 -13.43 49.51 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.691 -1.256 . . . . 0.0 111.442 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.08 -54.38 2.54 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.66 1.184 . . . . 0.0 112.648 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.268 16.7 mt-10 62.28 69.41 0.62 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.5 mmt -117.73 -122.9 0.29 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 121.061 -1.024 . . . . 0.0 111.314 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.44 -149.6 0.35 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.961 1.704 . . . . 0.0 111.196 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.32 172.71 12.77 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.907 -1.746 . . . . 0.0 110.367 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.49 34.85 11.2 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 121.061 -1.024 . . . . 0.0 112.933 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.57 153.89 32.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -163.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -106.11 101.27 10.77 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.24 1.416 . . . . 0.0 114.608 -159.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 tt -116.82 126.61 74.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.558 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.67 133.11 43.46 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.88 -1.763 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -121.19 127.37 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 123.284 1.516 . . . . 0.0 110.977 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.58 89.68 3.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.371 -1.456 . . . . 0.0 110.354 -171.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -94.46 142.51 27.35 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 162.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.347 0.495 0 O-C-N 121.136 -0.977 . . . . 0.0 111.365 -179.365 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 123.122 1.439 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -164.14 172.65 13.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.509 -1.369 . . . . 0.0 107.335 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 pt -124.01 148.41 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.524 0.678 . . . . 0.0 110.305 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.82 150.91 22.32 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.941 -1.1 . . . . 0.0 110.018 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -128.86 142.45 50.96 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.223 -0.923 . . . . 0.0 108.658 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -107.92 138.74 43.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.756 1.222 . . . . 0.0 109.776 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.57 122.19 67.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.83 120.14 41.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 109.97 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.82 144.32 18.78 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 119.765 -1.834 . . . . 0.0 113.284 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -72.6 -28.17 62.62 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.175 -1.779 . . . . 0.0 110.588 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -26.96 62.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.112 2.565 . . . . 0.0 113.772 164.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.251 0.3 OUTLIER 93.5 24.75 0.01 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 129.285 3.034 . . . . 0.0 112.869 173.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 151.43 24.62 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.91 -1.119 . . . . 0.0 111.452 163.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 t -132.52 117.66 32.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 O-C-N 120.525 -1.36 . . . . 0.0 108.882 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -121.16 151.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 O-C-N 120.656 -1.277 . . . . 0.0 107.667 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.58 143.4 30.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.622 -1.924 . . . . 0.0 113.125 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -120.11 158.23 27.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.094 0.957 . . . . 0.0 112.46 -171.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -124.08 116.52 22.92 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 125.489 1.516 . . . . 0.0 108.704 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -142.93 145.33 23.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.756 -1.84 . . . . 0.0 112.432 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.09 154.01 28.36 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 119.081 -2.262 . . . . 0.0 112.27 174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -62.64 -28.92 70.24 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -82.63 -7.23 59.66 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.626 -1.296 . . . . 0.0 114.465 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -98.34 119.54 61.48 Favored Pre-proline 0 C--N 1.346 0.423 0 O-C-N 120.205 -1.56 . . . . 0.0 109.736 -171.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.19 159.92 29.81 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 CA-C-N 123.116 2.148 . . . . 0.0 112.884 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.31 -32.6 62.91 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.433 1.093 . . . . 0.0 112.237 -171.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -47.53 -44.8 26.1 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.588 1.955 . . . . 0.0 114.817 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -38.8 86.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.181 -0.949 . . . . 0.0 112.589 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.95 -47.7 82.08 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.8 -1.187 . . . . 0.0 111.636 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.4 mmm -55.06 -57.73 10.55 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.344 1.057 . . . . 0.0 113.494 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.34 -35.85 81.77 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.661 -1.274 . . . . 0.0 113.714 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.61 87.41 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.425 -1.422 . . . . 0.0 113.593 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.77 -35.34 78.52 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.541 -1.349 . . . . 0.0 113.082 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.55 -53.58 56.5 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.72 -1.238 . . . . 0.0 113.489 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -67.16 -27.78 67.57 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -75.21 -45.29 41.37 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.121 -1.612 . . . . 0.0 113.702 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.75 -48.49 10.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.65 14.82 39.28 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 124.841 1.21 . . . . 0.0 113.937 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.08 -169.45 0.94 Allowed 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.451 1.501 . . . . 0.0 112.712 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -152.34 156.34 39.41 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 118.936 -2.353 . . . . 0.0 110.539 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -70.02 -34.41 73.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.779 -1.201 . . . . 0.0 112.683 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.07 -9.07 19.37 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.7 -5.96 10.85 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.077 -1.639 . . . . 0.0 111.96 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.27 103.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 125.141 1.376 . . . . 0.0 108.16 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 103.83 15.78 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 118.846 -2.409 . . . . 0.0 108.491 175.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.9 138.28 42.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.443 1.097 . . . . 0.0 111.432 -171.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -142.8 145.76 33.55 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.807 -1.183 . . . . 0.0 111.455 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -111.64 125.71 54.25 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 49.83 40.59 20.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 122.899 1.333 . . . . 0.0 114.322 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.42 64.37 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 119.417 -2.052 . . . . 0.0 116.068 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -124.57 162.67 41.26 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 120.73 -1.453 . . . . 0.0 111.836 -164.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.19 162.64 31.27 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.458 2.106 . . . . 0.0 111.595 171.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -148.05 154.53 10.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -103.75 151.04 23.5 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.773 -1.204 . . . . 0.0 111.362 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -19.3 11.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.592 1.957 . . . . 0.0 112.42 -170.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.08 -23.52 64.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.905 -1.747 . . . . 0.0 113.363 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -74.4 172.63 11.57 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 123.255 1.502 . . . . 0.0 112.68 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -89.52 144.9 32.72 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 126.153 1.781 . . . . 0.0 110.801 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.53 -6.76 19.84 Favored 'Trans proline' 0 C--N 1.336 -0.127 0 CA-C-N 122.892 2.068 . . . . 0.0 113.654 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -73.92 -25.91 60.24 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.008 -1.057 . . . . 0.0 112.648 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -68.11 -18.34 64.61 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.938 1.695 . . . . 0.0 114.449 -168.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.03 -19.5 23.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.494 1.518 . . . . 0.0 113.03 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 61.68 29.58 18.18 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.5 mmt -77.02 -72.03 0.37 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.234 -2.166 . . . . 0.0 113.466 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 146.09 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.879 3.271 . . . . 0.0 107.185 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -122.92 167.72 13.22 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.647 -1.283 . . . . 0.0 108.243 160.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.52 65.52 1.56 Allowed Glycine 0 C--N 1.347 1.146 0 O-C-N 120.877 -1.14 . . . . 0.0 113.248 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -71.05 154.8 41.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 163.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -140.11 64.92 1.43 Allowed 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.268 1.427 . . . . 0.0 107.518 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -80.45 127.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 O-C-N 120.949 -1.095 . . . . 0.0 111.511 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.53 132.3 39.35 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.103 -1.623 . . . . 0.0 111.598 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.4 t -116.56 124.33 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 125.1 1.36 . . . . 0.0 110.877 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 104.03 14.52 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.419 -1.425 . . . . 0.0 108.252 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.82 144.69 31.88 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.589 -1.32 . . . . 0.0 111.598 171.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.435 0 O-C-N 120.641 -1.287 . . . . 0.0 111.369 -174.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -126.19 155.4 41.84 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.525 -1.359 . . . . 0.0 112.571 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 pt -113.81 -153.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 111.266 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.16 83.12 1.56 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.737 -1.852 . . . . 0.0 110.883 -165.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.29 126.14 30.46 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.92 -1.112 . . . . 0.0 111.164 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -111.02 103.95 12.46 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.46 102.56 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.73 94.39 9.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.911 -1.118 . . . . 0.0 109.746 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.18 118.17 6.2 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 120.961 -1.087 . . . . 0.0 112.03 173.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -11.32 60.71 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.834 -1.392 . . . . 0.0 112.898 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -77.63 0.73 22.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.927 1.691 . . . . 0.0 112.496 167.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 99.51 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.228 3.411 . . . . 0.0 111.278 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.32 81.26 8.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.441 -1.412 . . . . 0.0 113.4 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -80.7 118.34 28.26 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 O-C-N 120.264 -1.523 . . . . 0.0 109.708 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.84 162.18 40.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 O-C-N 120.654 -1.279 . . . . 0.0 108.79 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -154.65 152.77 30.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 119.614 -1.929 . . . . 0.0 111.527 -173.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -165.09 166.8 18.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.784 0.802 . . . . 0.0 109.982 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -106.65 122.25 45.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.136 -1.602 . . . . 0.0 111.719 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 tt -98.55 150.33 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.008 -1.683 . . . . 0.0 109.026 172.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -77.11 136.13 38.61 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.706 -1.246 . . . . 0.0 109.274 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -68.54 -18.67 64.41 Favored 'General case' 0 C--N 1.347 0.5 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 -166.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -12.31 59.56 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 121.026 -1.047 . . . . 0.0 112.649 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.4 m -91.04 123.12 65.5 Favored Pre-proline 0 C--N 1.346 0.436 0 O-C-N 120.631 -1.293 . . . . 0.0 110.747 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.37 158.6 48.08 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 122.79 2.032 . . . . 0.0 112.486 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.11 -36.89 72.31 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 123.557 0.743 . . . . 0.0 112.911 -170.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -47.68 -44.91 27.82 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.5 -44.15 95.15 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.877 -1.139 . . . . 0.0 112.901 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.07 -45.99 89.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.734 -1.228 . . . . 0.0 112.215 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.9 -48.45 81.38 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.903 -1.123 . . . . 0.0 113.381 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -66.15 -42.2 89.35 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.54 -1.35 . . . . 0.0 112.747 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.89 78.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.784 -1.197 . . . . 0.0 113.819 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.3 -45.03 77.72 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.646 -1.284 . . . . 0.0 113.327 170.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.5 m -53.49 -46.57 70.06 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.581 -1.324 . . . . 0.0 113.147 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.93 -54.76 18.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.652 1.581 . . . . 0.0 113.84 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -76.98 -28.79 55.24 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.077 -1.64 . . . . 0.0 113.959 -172.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.15 -36.57 30.05 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.958 -1.714 . . . . 0.0 111.651 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.8 73.77 1.28 Allowed Glycine 0 C--N 1.348 1.22 0 C-N-CA 124.567 1.08 . . . . 0.0 112.13 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.08 -172.0 4.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.848 1.259 . . . . 0.0 109.155 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -128.01 157.75 39.78 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.884 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.5 ttm -79.66 -0.38 33.71 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.492 -2.005 . . . . 0.0 113.866 -171.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -71.53 -42.99 67.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 119.694 -1.879 . . . . 0.0 113.132 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.53 -22.03 7.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 O-C-N 120.794 -1.191 . . . . 0.0 112.632 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.18 103.01 14.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 124.596 1.158 . . . . 0.0 109.072 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -108.82 132.94 53.52 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.472 -1.392 . . . . 0.0 110.279 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -118.31 149.96 40.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.863 -1.148 . . . . 0.0 113.038 -170.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -142.15 161.03 39.05 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.582 1.153 . . . . 0.0 108.579 168.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -123.65 125.81 45.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t70 50.34 41.88 25.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 114.295 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.68 -20.9 44.24 Favored Glycine 0 C--N 1.353 1.496 0 O-C-N 120.292 -1.505 . . . . 0.0 116.343 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -120.14 150.17 50.74 Favored Pre-proline 0 C--N 1.351 0.674 0 CA-C-N 119.566 1.683 . . . . 0.0 113.888 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.33 110.33 2.64 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.93 2.42 . . . . 0.0 112.729 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 tt -85.7 155.03 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 122.278 1.037 . . . . 0.0 113.012 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -74.68 141.38 44.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.66 -1.275 . . . . 0.0 110.562 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -19.32 19.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.516 -1.365 . . . . 0.0 113.279 -172.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -74.48 -27.52 60.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.478 -1.389 . . . . 0.0 114.485 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.16 174.22 11.77 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 119.902 -1.749 . . . . 0.0 115.23 -171.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.58 47.54 Favored Pre-proline 0 C--N 1.346 0.418 0 C-N-CA 126.219 1.808 . . . . 0.0 112.07 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -5.19 16.54 Favored 'Trans proline' 0 N--CA 1.471 0.17 0 C-N-CA 122.961 2.441 . . . . 0.0 113.47 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 p -73.08 -30.94 64.05 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.194 0.998 . . . . 0.0 111.361 163.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -66.26 -35.71 81.11 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.111 -1.618 . . . . 0.0 112.517 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.57 6.61 48.37 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.249 -0.907 . . . . 0.0 111.72 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.251 36.3 mt-10 41.8 59.77 2.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 127.387 2.275 . . . . 0.0 115.851 -176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.08 169.39 10.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 -168.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.81 -117.66 0.02 OUTLIER 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.053 2.141 . . . . 0.0 111.712 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.38 152.44 27.56 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 125.496 1.518 . . . . 0.0 106.904 166.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.43 56.53 0.26 Allowed Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -97.59 93.16 6.27 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.083 0.944 . . . . 0.0 110.105 -151.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 48.9 p -83.4 99.25 9.94 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -170.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.8 tt -104.47 129.72 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 124.419 1.088 . . . . 0.0 108.77 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.98 140.94 29.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.679 -1.888 . . . . 0.0 109.077 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.85 114.72 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 122.925 1.345 . . . . 0.0 109.181 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -85.84 112.8 21.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 124.557 1.143 . . . . 0.0 108.441 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.19 142.16 47.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.282 1.433 . . . . 0.0 108.986 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 N--CA 1.447 -0.597 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 172.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 ttt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 119.69 -0.195 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 p -57.98 -48.82 78.86 Favored 'General case' 0 C--N 1.349 0.575 0 C-N-CA 125.985 1.714 . . . . 0.0 113.973 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.69 -0.58 7.16 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.459 1.903 . . . . 0.0 114.766 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -129.09 -45.16 1.26 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.557 -1.34 . . . . 0.0 112.311 -172.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.8 63.38 0.84 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 122.626 1.203 . . . . 0.0 113.653 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -112.06 68.52 0.67 Allowed 'General case' 0 C--N 1.349 0.575 0 O-C-N 119.884 -1.76 . . . . 0.0 111.795 -173.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.69 82.61 0.08 OUTLIER Glycine 0 C--N 1.346 1.132 0 O-C-N 121.218 -0.926 . . . . 0.0 112.386 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.44 148.71 5.94 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 121.286 -1.126 . . . . 0.0 112.203 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 86.51 124.99 0.03 OUTLIER 'General case' 0 C--N 1.359 1.01 0 C-N-CA 128.299 2.64 . . . . 0.0 113.093 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.9 m -93.13 -78.9 0.41 Allowed 'General case' 0 C--N 1.356 0.859 0 O-C-N 120.79 -1.194 . . . . 0.0 113.049 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -80.52 94.22 6.21 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-O 122.656 1.217 . . . . 0.0 112.2 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.481 ' CD2' ' HZ3' ' A' ' 28' ' ' LYS . 22.9 p80 -140.22 161.33 37.92 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-O 122.412 1.101 . . . . 0.0 112.065 -177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.72 151.92 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 C-N-CA 125.271 1.428 . . . . 0.0 108.321 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -101.95 143.06 32.29 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.64 134.05 55.43 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.714 1.206 . . . . 0.0 108.533 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -108.34 120.79 43.4 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -110.65 116.51 52.6 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 O-C-N 120.916 -1.115 . . . . 0.0 109.058 -173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -104.93 118.59 36.92 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.252 1.025 . . . . 0.0 111.525 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.11 144.25 29.53 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.576 -1.952 . . . . 0.0 111.974 171.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -52.74 -38.41 60.85 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 126.964 2.105 . . . . 0.0 113.822 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -67.38 -92.39 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 127.7 2.4 . . . . 0.0 113.735 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -155.9 -6.47 0.12 Allowed 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.437 1.895 . . . . 0.0 111.621 -178.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.61 124.75 29.24 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 119.447 -2.033 . . . . 0.0 113.574 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -126.46 133.1 69.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 O-C-N 120.381 -1.449 . . . . 0.0 108.528 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.48 167.36 26.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 109.678 176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -141.46 136.45 31.29 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.043 -1.661 . . . . 0.0 112.542 177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -120.64 171.95 8.21 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.226 1.41 . . . . 0.0 111.397 -172.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HZ3' ' CD2' ' A' ' 12' ' ' HIS . 18.9 ttpp -136.52 133.1 36.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.002 1.321 . . . . 0.0 108.924 -174.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.5 tt -151.24 156.67 5.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 O-C-N 120.817 -1.177 . . . . 0.0 110.423 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -71.79 147.1 47.58 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 119.734 -1.854 . . . . 0.0 111.626 172.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -68.56 -21.63 64.53 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.868 -1.77 . . . . 0.0 114.694 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -75.96 -42.04 49.66 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.075 1.35 . . . . 0.0 113.52 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -76.28 144.49 74.84 Favored Pre-proline 0 C--N 1.342 0.253 0 O-C-N 120.454 -1.404 . . . . 0.0 114.083 -165.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.9 161.54 43.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.461 2.107 . . . . 0.0 111.245 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -78.05 -19.96 53.3 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -164.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -56.62 -41.94 77.95 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -77.08 -6.05 51.28 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 121.094 -1.004 . . . . 0.0 113.583 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -90.2 -51.85 5.24 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.101 -0.999 . . . . 0.0 109.255 163.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 88.7 mtp -54.97 -63.75 1.05 Allowed 'General case' 0 C--N 1.354 0.776 0 C-N-CA 125.578 1.551 . . . . 0.0 114.655 -178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -66.6 -30.37 70.64 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.456 -1.402 . . . . 0.0 111.655 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.16 -48.1 83.17 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 121.045 -1.034 . . . . 0.0 113.733 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -67.57 -36.56 81.18 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.512 0.725 . . . . 0.0 112.78 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -58.03 -43.62 86.88 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 120.281 -1.512 . . . . 0.0 114.207 171.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -67.98 -49.53 61.13 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.261 1.024 . . . . 0.0 113.462 172.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -65.81 -28.61 69.13 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.89 -1.756 . . . . 0.0 113.772 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.1 -48.65 15.55 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.097 -1.627 . . . . 0.0 112.421 165.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.0 0.87 Allowed Glycine 0 C--N 1.348 1.243 0 C-N-CA 125.647 1.594 . . . . 0.0 112.686 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 pp -143.17 168.63 19.3 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.5 m -100.48 134.28 43.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.699 -1.251 . . . . 0.0 112.924 176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -18.18 54.15 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -66.17 -18.18 65.18 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 119.977 -1.702 . . . . 0.0 115.302 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.06 -20.47 6.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.567 0 O-C-N 120.515 -1.365 . . . . 0.0 112.301 174.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.6 t -93.15 86.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 O-C-N 120.398 -1.439 . . . . 0.0 109.684 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -92.1 104.66 17.02 Favored 'General case' 0 N--CA 1.45 -0.433 0 O-C-N 120.552 -1.343 . . . . 0.0 112.643 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -97.2 145.9 25.61 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.95 -1.094 . . . . 0.0 113.041 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' A' ' 80' ' ' GLU . 0.3 OUTLIER -142.3 142.11 32.49 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 121.096 -1.002 . . . . 0.0 110.907 171.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -115.89 132.09 56.75 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 126.527 1.931 . . . . 0.0 106.495 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.5 t0 57.3 27.65 14.04 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-O 123.41 1.576 . . . . 0.0 112.835 -177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.1 16.98 67.39 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 119.938 -1.726 . . . . 0.0 115.624 -170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -129.8 161.15 61.21 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 109.935 -171.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.85 160.35 37.43 Favored 'Trans proline' 0 C--N 1.331 -0.368 0 CA-C-N 122.483 1.923 . . . . 0.0 112.432 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.2 tt -140.6 164.38 21.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.354 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -128.77 178.6 6.23 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.054 -1.654 . . . . 0.0 110.071 -174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.63 -20.02 47.78 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.425 -1.422 . . . . 0.0 114.62 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t30 -78.23 -34.0 49.48 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 123.739 0.816 . . . . 0.0 112.533 -169.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.63 101.92 1.75 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.756 1.623 . . . . 0.0 112.046 -177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.5 p -76.96 149.03 79.68 Favored Pre-proline 0 C--N 1.345 0.394 0 O-C-N 119.329 -2.107 . . . . 0.0 110.579 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -73.13 -11.2 25.07 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 CA-C-N 122.694 1.998 . . . . 0.0 111.666 -173.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 t -80.37 -7.64 59.18 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 168.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -85.84 -27.57 25.01 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.354 -1.466 . . . . 0.0 110.539 164.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -84.91 -48.18 9.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 121.1 -1.0 . . . . 0.0 112.54 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.277 81.7 mt-10 53.59 69.14 0.74 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -99.13 8.23 45.09 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 121.173 -0.954 . . . . 0.0 110.163 163.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.278 26.1 tp10 63.55 -99.9 0.08 Allowed 'General case' 0 C--N 1.352 0.71 0 C-N-CA 126.175 1.79 . . . . 0.0 110.585 -162.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -135.37 175.31 9.7 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 119.974 1.261 . . . . 0.0 113.494 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.41 73.3 1.22 Allowed Glycine 0 C--N 1.351 1.416 0 C-N-CA 123.874 0.75 . . . . 0.0 112.185 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -78.62 151.13 32.49 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.754 -0.851 . . . . 0.0 109.5 170.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.2 p -134.44 32.95 3.32 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 126.613 1.965 . . . . 0.0 110.083 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -52.68 131.83 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.039 2.136 . . . . 0.0 115.139 173.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 56' ' ' ARG . 0.9 OUTLIER -94.39 155.67 16.86 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 119.888 -1.757 . . . . 0.0 111.778 -177.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.6 t -121.1 109.81 26.25 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-O 122.291 1.043 . . . . 0.0 109.636 167.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -87.85 80.42 7.83 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 120.279 -1.513 . . . . 0.0 109.643 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -57.97 162.09 3.56 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.151 1.78 . . . . 0.0 114.827 -176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -67.06 -55.31 14.89 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.891 -1.756 . . . . 0.0 113.368 173.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.71 -143.17 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.371 -2.455 . . . . 0.0 104.371 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.0 m -69.72 119.25 13.67 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.746 2.066 . . . . 0.0 113.638 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.71 105.85 0.19 Allowed Glycine 0 C--N 1.351 1.38 0 O-C-N 120.476 -1.39 . . . . 0.0 112.655 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.469 0 O-C-N 121.037 -1.272 . . . . 0.0 111.119 177.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.5 ttt . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -112.28 54.81 0.7 Allowed 'General case' 0 C--N 1.352 0.704 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -118.42 -46.29 2.59 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.802 -1.186 . . . . 0.0 113.178 -158.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 70.74 -39.03 0.44 Allowed 'General case' 0 C--N 1.35 0.619 0 C-N-CA 126.022 1.729 . . . . 0.0 114.725 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -45.69 -16.28 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 131.034 3.734 . . . . 0.0 120.912 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 128.36 41.9 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.621 -1.924 . . . . 0.0 112.149 -175.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.53 146.34 4.57 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 120.415 -1.428 . . . . 0.0 112.483 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.91 -90.41 0.46 Allowed Glycine 0 C--N 1.343 0.924 0 O-C-N 121.833 -0.804 . . . . 0.0 111.321 174.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.263 45.7 mt-10 66.56 -101.87 0.07 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 126.791 2.036 . . . . 0.0 116.037 177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.393 41.3 p 80.64 -136.98 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 C-N-CA 128.355 2.662 . . . . 0.0 111.428 -166.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -75.62 86.01 2.68 Favored 'General case' 0 C--N 1.347 0.463 0 O-C-N 119.56 -1.962 . . . . 0.0 115.163 -170.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -102.55 158.91 15.89 Favored 'General case' 0 C--N 1.348 0.512 0 C-N-CA 124.797 1.239 . . . . 0.0 112.32 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -136.66 175.37 10.34 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 C-N-CA 124.054 0.942 . . . . 0.0 111.447 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -128.78 117.17 20.64 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 125.516 1.526 . . . . 0.0 110.151 177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.59 142.72 27.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.628 0.728 . . . . 0.0 110.502 176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -101.24 107.39 18.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.248 1.419 . . . . 0.0 109.821 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -97.7 99.56 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.765 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 55.7 mt -93.45 101.78 13.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.572 1.149 . . . . 0.0 111.854 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.88 136.33 14.75 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 119.545 -1.972 . . . . 0.0 114.085 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.15 -32.16 73.44 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.48 -1.6 . . . . 0.0 112.51 173.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.91 49.62 1.09 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.003 1.721 . . . . 0.0 111.694 173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.4 m120 66.84 -50.97 0.46 Allowed 'General case' 0 C--N 1.35 0.608 0 C-N-CA 128.147 2.579 . . . . 0.0 117.68 175.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.95 118.42 12.77 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -95.62 128.85 46.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.552 0 O-C-N 120.875 -1.141 . . . . 0.0 110.367 172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 t -120.83 158.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 C-N-CA 125.024 1.33 . . . . 0.0 108.847 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -125.57 140.7 52.52 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 119.335 -2.103 . . . . 0.0 111.324 173.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -122.17 147.31 46.33 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.078 -1.014 . . . . 0.0 110.418 177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -113.27 139.09 49.11 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 121.095 -1.003 . . . . 0.0 110.45 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' H ' ' A' ' 30' ' ' LYS . 5.8 tt -145.06 -179.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.594 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' H ' HG12 ' A' ' 29' ' ' ILE . 32.4 mtpt -98.17 159.74 14.74 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 119.803 -1.81 . . . . 0.0 110.629 170.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -74.05 -44.07 55.56 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -80.69 -2.91 48.7 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 120.569 -1.332 . . . . 0.0 114.111 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -88.13 131.23 43.38 Favored Pre-proline 0 C--N 1.352 0.714 0 O-C-N 121.069 -1.02 . . . . 0.0 110.779 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.04 157.58 50.73 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.202 1.935 . . . . 0.0 111.814 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.95 -27.05 43.55 Favored 'General case' 0 C--N 1.347 0.483 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -163.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.1 ttt85 -51.25 -38.18 51.24 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 125.725 1.61 . . . . 0.0 115.004 -175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -45.81 89.87 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.463 1.505 . . . . 0.0 113.182 177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.86 -49.13 49.39 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 125.267 1.427 . . . . 0.0 111.483 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 87.2 mtp -51.9 -52.98 46.0 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.743 1.617 . . . . 0.0 112.886 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -65.34 -49.66 68.58 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.262 -0.899 . . . . 0.0 111.645 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.3 -41.94 66.14 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 115.711 1.745 . . . . 0.0 115.711 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.48 -44.46 74.73 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.771 -1.205 . . . . 0.0 112.275 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.78 -43.81 98.12 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.767 -1.208 . . . . 0.0 113.208 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.58 -53.19 57.82 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.419 2.287 . . . . 0.0 113.408 173.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -76.13 -19.75 58.23 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 121.002 -1.061 . . . . 0.0 113.085 -173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.22 -41.77 27.52 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.216 -1.552 . . . . 0.0 112.354 164.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.3 33.82 11.34 Favored Glycine 0 C--N 1.345 1.075 0 C-N-CA 126.011 1.767 . . . . 0.0 111.404 -175.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -106.0 152.07 23.82 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 123.001 1.382 . . . . 0.0 113.051 -173.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -78.62 128.96 34.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 120.926 -1.109 . . . . 0.0 111.79 176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -59.83 -33.54 71.9 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.829 -1.169 . . . . 0.0 112.577 174.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -44.36 -40.03 5.05 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 127.207 2.203 . . . . 0.0 116.859 172.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.65 5.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 O-C-N 120.68 -1.263 . . . . 0.0 112.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.9 88.77 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 124.09 0.956 . . . . 0.0 110.011 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.7 mtp180 -92.36 157.78 16.43 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.311 -2.118 . . . . 0.0 110.861 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -147.98 154.51 40.4 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.636 -1.29 . . . . 0.0 111.993 -172.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 154.13 49.12 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 168.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -117.53 123.99 47.62 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.64 25.52 6.47 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.08 -20.9 47.0 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 119.53 -1.982 . . . . 0.0 115.357 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -119.0 160.53 40.5 Favored Pre-proline 0 C--N 1.347 0.463 0 CA-C-N 119.628 1.714 . . . . 0.0 112.044 -172.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.65 163.69 36.72 Favored 'Trans proline' 0 C--N 1.33 -0.398 0 CA-C-N 122.948 2.088 . . . . 0.0 112.104 174.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -143.86 155.08 15.83 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -170.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.39 160.43 14.29 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.469 -1.394 . . . . 0.0 109.374 171.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -73.53 -14.59 61.24 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 119.555 -1.966 . . . . 0.0 112.752 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -84.11 -8.16 59.17 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 126.531 1.932 . . . . 0.0 112.178 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -78.83 105.6 10.26 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.265 -1.522 . . . . 0.0 110.018 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 63.5 p -100.35 151.45 37.55 Favored Pre-proline 0 C--N 1.351 0.659 0 O-C-N 120.511 -1.368 . . . . 0.0 112.906 -169.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 -7.37 18.17 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.216 1.944 . . . . 0.0 112.409 176.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -82.54 -41.08 20.1 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.623 1.101 . . . . 0.0 110.89 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.0 m -76.4 -28.56 56.75 Favored 'General case' 0 C--N 1.355 0.814 0 O-C-N 120.66 -1.275 . . . . 0.0 112.739 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 53.2 tp -70.29 -38.85 75.09 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.303 -1.498 . . . . 0.0 113.006 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.346 16.1 mt-10 67.61 19.06 9.9 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 -177.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 61.5 tpp -63.93 138.48 58.49 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.734 1.213 . . . . 0.0 108.809 159.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.29 -69.97 0.47 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.149 -1.594 . . . . 0.0 111.836 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -153.87 165.73 35.16 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.75 32.41 1.58 Allowed Glycine 0 C--N 1.345 1.055 0 C-N-CA 124.197 0.904 . . . . 0.0 111.017 175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.19 115.54 16.01 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.119 2.168 . . . . 0.0 112.612 -166.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.2 p -91.56 103.21 15.83 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 125.592 1.557 . . . . 0.0 114.842 -166.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 tt -118.4 126.41 75.07 Favored 'Isoleucine or valine' 0 C--N 1.348 0.512 0 O-C-N 120.441 -1.412 . . . . 0.0 111.116 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -90.39 146.84 23.85 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 119.741 -1.849 . . . . 0.0 111.075 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 69.1 t -117.94 114.65 45.97 Favored 'Isoleucine or valine' 0 C--N 1.345 0.372 0 CA-C-O 123.008 1.385 . . . . 0.0 110.592 177.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.6 100.09 11.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.425 1.49 . . . . 0.0 108.989 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -84.23 127.91 34.24 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.485 -1.384 . . . . 0.0 112.153 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -92.46 -42.86 9.51 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 124.036 0.934 . . . . 0.0 112.154 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -78.84 119.4 21.98 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.332 -1.48 . . . . 0.0 113.638 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 m -82.91 83.35 7.82 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 122.979 1.371 . . . . 0.0 112.697 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.71 133.77 1.6 Allowed Glycine 0 C--N 1.344 0.993 0 O-C-N 120.344 -1.473 . . . . 0.0 111.194 174.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.561 0 O-C-N 121.426 -1.043 . . . . 0.0 111.89 -178.096 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 mtt . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -75.35 73.36 2.42 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 124.418 1.087 . . . . 0.0 112.511 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -168.05 -140.41 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -136.52 106.41 6.26 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 120.208 -1.558 . . . . 0.0 106.867 154.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt 40.41 83.22 0.02 OUTLIER 'General case' 0 C--N 1.352 0.713 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -77.06 96.62 4.47 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.771 -1.831 . . . . 0.0 114.193 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.81 96.4 0.17 Allowed Glycine 0 C--N 1.347 1.17 0 O-C-N 121.024 -1.048 . . . . 0.0 111.367 175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 162.54 -104.84 0.24 Allowed Glycine 0 C--N 1.344 1.005 0 O-C-N 121.504 -0.998 . . . . 0.0 112.277 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -75.42 94.26 3.06 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-O 122.713 1.245 . . . . 0.0 112.308 -170.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 m -98.69 -19.63 17.41 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 125.226 1.41 . . . . 0.0 111.108 -160.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -65.81 67.95 0.04 OUTLIER 'General case' 0 C--N 1.347 0.482 0 C-N-CA 129.383 3.073 . . . . 0.0 115.358 -173.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -91.06 133.64 35.16 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 125.173 1.389 . . . . 0.0 110.342 169.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.1 pt -107.4 137.51 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -87.74 136.37 32.98 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.415 1.086 . . . . 0.0 111.952 -176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 153.24 50.69 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 123.814 0.845 . . . . 0.0 109.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -125.76 138.93 53.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 O-C-N 121.065 -1.022 . . . . 0.0 111.758 174.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.01 112.2 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 124.184 0.993 . . . . 0.0 108.718 177.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.5 88.91 6.08 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.2 1.0 . . . . 0.0 110.018 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.67 120.44 5.28 Favored Glycine 0 C--N 1.346 1.126 0 O-C-N 121.121 -0.987 . . . . 0.0 111.893 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -8.1 44.88 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -76.18 17.66 0.34 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.018 1.727 . . . . 0.0 111.857 167.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 76.87 -20.43 0.37 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.909 2.484 . . . . 0.0 114.13 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.56 67.4 0.76 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.664 1.586 . . . . 0.0 114.772 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.4 t -80.81 134.55 27.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 C-N-CA 125.589 1.556 . . . . 0.0 110.37 175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -141.08 151.38 19.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 123.914 0.886 . . . . 0.0 111.184 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.87 141.02 52.4 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.376 -1.453 . . . . 0.0 110.784 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -154.74 178.56 10.0 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 121.066 -1.021 . . . . 0.0 110.342 174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -140.72 152.3 45.18 Favored 'General case' 0 C--N 1.352 0.702 0 O-C-N 120.121 -1.612 . . . . 0.0 114.629 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -133.15 159.62 42.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.579 0 C-N-CA 125.543 1.537 . . . . 0.0 108.338 -175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -75.42 144.36 42.23 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 118.948 -2.345 . . . . 0.0 111.334 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -80.48 1.87 27.59 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.933 -1.73 . . . . 0.0 115.419 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -87.39 -31.63 19.99 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.084 -1.635 . . . . 0.0 112.542 170.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.8 p -82.34 149.8 62.49 Favored Pre-proline 0 C--N 1.345 0.396 0 O-C-N 120.691 -1.255 . . . . 0.0 113.279 -175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -74.58 169.16 23.16 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.482 2.121 . . . . 0.0 112.176 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.81 -32.87 65.83 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 121.535 -0.728 . . . . 0.0 112.962 -175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -47.71 -41.18 22.2 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.99 71.72 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.739 -1.225 . . . . 0.0 112.938 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.9 -49.85 41.31 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 119.482 -2.011 . . . . 0.0 110.557 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.5 mmm -50.48 -57.92 6.94 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 125.335 1.454 . . . . 0.0 113.87 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -80.39 -5.7 56.87 Favored 'General case' 0 C--N 1.345 0.373 0 O-C-N 120.256 -1.527 . . . . 0.0 113.291 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -49.07 16.66 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 119.945 -1.722 . . . . 0.0 110.346 164.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -55.59 32.01 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.742 1.217 . . . . 0.0 112.535 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.5 m -58.51 -54.8 42.91 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -70.33 -28.74 65.39 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.446 -1.409 . . . . 0.0 113.633 -174.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -66.67 -47.12 73.48 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 120.212 -1.555 . . . . 0.0 112.808 169.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 -50.86 64.57 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 121.22 -0.925 . . . . 0.0 112.971 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 126.97 -28.44 4.61 Favored Glycine 0 C--N 1.346 1.113 0 O-C-N 121.416 -0.803 . . . . 0.0 111.682 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.26 169.63 17.95 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.935 1.294 . . . . 0.0 113.12 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 p -153.8 -171.84 4.02 Favored 'General case' 0 CA--C 1.514 -0.42 0 O-C-N 119.626 -1.921 . . . . 0.0 110.347 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -72.92 -10.16 59.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 112.292 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -68.45 -25.89 65.23 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 120.167 -1.583 . . . . 0.0 112.662 168.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.87 -30.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.545 0 C-N-CA 123.979 0.912 . . . . 0.0 113.304 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -92.93 135.41 27.79 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 O-C-N 120.316 -1.49 . . . . 0.0 109.793 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 90.51 3.35 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.704 -1.872 . . . . 0.0 110.59 -169.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -82.87 133.06 35.14 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 121.103 -0.998 . . . . 0.0 112.413 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.48 149.47 43.83 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.093 -1.629 . . . . 0.0 107.92 162.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -119.0 108.46 14.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.598 -1.631 . . . . 0.0 106.598 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.8 t0 52.84 48.13 23.14 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 123.148 1.451 . . . . 0.0 112.442 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.0 -31.74 3.35 Favored Glycine 0 C--N 1.354 1.55 0 O-C-N 120.317 -1.489 . . . . 0.0 115.592 -171.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -96.33 156.77 36.51 Favored Pre-proline 0 CA--C 1.538 0.484 0 O-C-N 120.494 -1.592 . . . . 0.0 114.437 -163.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.07 110.42 3.02 Favored 'Trans proline' 0 C--N 1.331 -0.379 0 C-N-CA 122.812 2.341 . . . . 0.0 113.026 170.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.7 tt -88.62 137.9 20.25 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 O-C-N 120.762 -1.211 . . . . 0.0 111.972 174.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -87.65 118.87 27.44 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.026 -1.671 . . . . 0.0 111.86 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.71 -15.99 59.92 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -69.38 -23.03 63.68 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 120.252 -1.53 . . . . 0.0 113.614 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -74.73 167.47 21.74 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 122.593 1.187 . . . . 0.0 113.717 -171.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.0 p -118.23 148.12 43.06 Favored Pre-proline 0 C--N 1.343 0.295 0 O-C-N 120.909 -1.119 . . . . 0.0 110.894 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.27 -5.17 16.55 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 CA-C-N 121.299 1.5 . . . . 0.0 112.715 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -81.36 -21.17 39.3 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 120.322 1.419 . . . . 0.0 111.622 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.3 m -83.08 -41.99 17.95 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 122.531 1.158 . . . . 0.0 109.559 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.2 mt -73.94 -53.67 9.6 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.303 1.441 . . . . 0.0 112.913 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.341 51.2 mt-10 77.29 68.37 0.05 Allowed 'General case' 0 C--N 1.351 0.659 0 C-N-CA 126.998 2.119 . . . . 0.0 114.747 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.1 mpp? -112.49 176.7 4.91 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 125.031 1.332 . . . . 0.0 109.594 168.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -99.86 -110.95 0.19 Allowed 'General case' 0 C--N 1.35 0.596 0 C-N-CA 124.939 1.296 . . . . 0.0 112.864 -169.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -144.07 159.55 42.43 Favored 'General case' 0 CA--C 1.512 -0.497 0 O-C-N 120.306 -1.496 . . . . 0.0 107.6 165.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.29 38.06 8.62 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -173.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -89.06 160.64 16.97 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.867 0.841 . . . . 0.0 110.511 -170.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.5 p -135.98 131.91 35.66 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 120.544 -1.347 . . . . 0.0 112.615 -160.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.0 tt -130.07 135.25 61.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 120.32 -1.488 . . . . 0.0 108.992 174.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -101.53 133.11 46.69 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.355 -1.466 . . . . 0.0 109.896 -174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.6 t -125.56 124.81 67.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 O-C-N 120.49 -1.382 . . . . 0.0 112.479 -170.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -104.63 163.31 12.57 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 124.79 1.236 . . . . 0.0 110.234 170.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -105.36 174.81 5.72 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.697 -1.252 . . . . 0.0 114.258 -177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.88 -82.07 0.12 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 161.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -87.39 148.59 24.94 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.796 1.238 . . . . 0.0 110.587 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -95.56 162.19 13.74 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.905 -1.122 . . . . 0.0 110.058 172.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 172.43 70.59 0.04 OUTLIER Glycine 0 C--N 1.348 1.203 0 O-C-N 120.202 -1.561 . . . . 0.0 111.686 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.736 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m 57.32 62.66 2.11 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.961 1.304 . . . . 0.0 112.87 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -166.65 -98.19 0.01 OUTLIER 'General case' 0 C--N 1.348 0.508 0 O-C-N 121.631 -0.668 . . . . 0.0 109.296 -148.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.34 9.8 tt0 106.73 118.37 0.01 OUTLIER 'General case' 0 C--N 1.354 0.794 0 C-N-CA 130.211 3.404 . . . . 0.0 113.688 176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.18 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.229 1.811 . . . . 0.0 109.489 164.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 170.79 11.44 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 122.617 1.199 . . . . 0.0 114.02 -175.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.34 -107.12 0.5 Allowed Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.14 -174.55 54.93 Favored Glycine 0 C--N 1.344 1.01 0 N-CA-C 116.347 1.299 . . . . 0.0 116.347 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 78.27 -69.07 0.14 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 127.109 2.163 . . . . 0.0 112.781 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 p -136.58 176.34 8.79 Favored 'General case' 0 CA--C 1.514 -0.438 0 C-N-CA 125.014 1.326 . . . . 0.0 110.122 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -80.01 117.67 21.05 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 119.968 -1.708 . . . . 0.0 112.279 -172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.2 149.17 40.83 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.581 -1.324 . . . . 0.0 113.154 -176.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.79 154.2 39.34 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 124.742 1.217 . . . . 0.0 110.004 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -92.95 155.62 17.44 Favored 'General case' 0 C--N 1.345 0.392 0 O-C-N 120.782 -1.198 . . . . 0.0 114.082 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -132.08 143.34 49.95 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 163.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -116.78 122.6 44.92 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.6 t -109.87 121.82 63.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 C-N-CA 124.618 1.167 . . . . 0.0 110.083 -169.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.0 111.55 19.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 121.083 -1.01 . . . . 0.0 113.155 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.09 166.07 51.33 Favored Glycine 0 C--N 1.347 1.172 0 O-C-N 120.161 -1.587 . . . . 0.0 113.98 176.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.5 -6.2 47.38 Favored 'General case' 0 C--N 1.344 0.353 0 O-C-N 120.872 -1.369 . . . . 0.0 114.192 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.6 p30 -85.4 -63.75 1.27 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.905 1.282 . . . . 0.0 111.034 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' H ' ' H ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -172.15 -5.92 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.468 2.307 . . . . 0.0 110.741 167.305 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 22' ' ' ASN . . . -78.13 117.24 19.23 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 119.765 -1.835 . . . . 0.0 115.361 -167.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.11 121.43 63.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 120.74 -1.225 . . . . 0.0 109.388 174.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.7 t -116.17 144.64 23.37 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 C-N-CA 125.778 1.631 . . . . 0.0 108.37 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -135.97 141.36 44.42 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 119.598 -1.939 . . . . 0.0 108.992 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -155.6 170.79 21.19 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.236 -0.915 . . . . 0.0 110.817 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -124.22 145.77 49.14 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 121.833 0.825 . . . . 0.0 112.049 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.8 tt -124.73 153.63 31.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 C-N-CA 125.437 1.495 . . . . 0.0 108.668 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -74.06 142.63 45.66 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.147 -1.596 . . . . 0.0 109.847 166.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.32 -18.74 61.75 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 119.766 -1.834 . . . . 0.0 114.681 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -84.33 -11.14 56.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 120.516 -1.365 . . . . 0.0 114.321 -169.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.9 p -111.11 154.79 43.37 Favored Pre-proline 0 C--N 1.347 0.485 0 O-C-N 120.476 -1.39 . . . . 0.0 110.994 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.44 165.35 23.18 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 CA-C-N 121.563 1.594 . . . . 0.0 112.682 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.64 -33.07 72.25 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -48.05 -39.56 20.33 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.774 1.63 . . . . 0.0 114.284 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -50.74 72.6 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.334 1.054 . . . . 0.0 112.48 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.37 -46.89 63.18 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.507 -1.371 . . . . 0.0 112.033 175.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.6 mmt -54.68 -50.78 67.43 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -37.13 82.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.675 -1.266 . . . . 0.0 112.199 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.95 96.27 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.614 -1.304 . . . . 0.0 113.05 175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.97 -43.12 88.83 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.8 -1.187 . . . . 0.0 112.365 175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -55.31 -58.54 7.31 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.131 0.972 . . . . 0.0 113.131 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -73.68 -17.07 61.18 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -76.89 -47.72 20.37 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.079 -1.638 . . . . 0.0 111.194 170.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.36 -39.98 70.91 Favored 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 120.812 -1.18 . . . . 0.0 113.303 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.34 16.68 12.71 Favored Glycine 0 C--N 1.347 1.159 0 C-N-CA 125.895 1.712 . . . . 0.0 112.386 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 pp -105.08 -179.9 4.08 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 120.562 -1.552 . . . . 0.0 111.638 -176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.54 -179.29 7.45 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 119.506 -1.996 . . . . 0.0 108.992 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 ttm -77.11 -5.85 50.57 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.662 -1.273 . . . . 0.0 113.002 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -62.62 -31.19 71.98 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 119.558 -1.964 . . . . 0.0 113.991 165.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.43 -57.16 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 C-N-CA 123.107 0.563 . . . . 0.0 110.756 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -86.48 113.48 24.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.404 -1.435 . . . . 0.0 112.076 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.62 128.83 56.17 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.905 -1.122 . . . . 0.0 109.763 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 146.88 27.8 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.225 1.01 . . . . 0.0 112.365 -177.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -134.24 139.99 46.15 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 110.673 163.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -104.75 114.67 29.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 126.471 1.908 . . . . 0.0 107.532 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.0 t70 63.75 -23.64 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.57 -29.73 0.25 Allowed Glycine 0 C--N 1.343 0.971 0 C-N-CA 126.639 2.066 . . . . 0.0 111.45 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -106.2 164.17 15.5 Favored Pre-proline 0 C--N 1.347 0.461 0 O-C-N 121.069 -1.254 . . . . 0.0 112.279 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.72 154.04 48.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.755 1.636 . . . . 0.0 111.752 172.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.1 tt -125.69 166.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 125.284 1.434 . . . . 0.0 107.436 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -113.53 169.22 9.13 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.387 -1.446 . . . . 0.0 111.902 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.52 -24.07 16.25 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 126.553 1.941 . . . . 0.0 112.558 -170.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -70.74 -20.25 62.66 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.807 -1.183 . . . . 0.0 113.248 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -68.16 135.72 52.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 122.973 1.368 . . . . 0.0 113.41 -173.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -94.87 133.96 25.67 Favored Pre-proline 0 C--N 1.343 0.314 0 C-N-CA 125.617 1.567 . . . . 0.0 109.927 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.72 -13.26 24.53 Favored 'Trans proline' 0 CA--C 1.52 -0.213 0 CA-C-N 122.943 2.087 . . . . 0.0 112.212 -171.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 p -65.59 -25.48 67.43 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 126.609 1.964 . . . . 0.0 112.95 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -79.38 -28.22 41.91 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.806 1.642 . . . . 0.0 112.667 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 tp -89.03 -31.25 18.16 Favored 'General case' 0 C--N 1.349 0.557 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -169.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.84 60.03 0.55 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.877 1.671 . . . . 0.0 112.325 -171.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 27.9 ptm -104.93 147.86 27.31 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.018 -1.051 . . . . 0.0 111.707 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -82.9 171.85 13.44 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 123.661 1.696 . . . . 0.0 111.486 169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -70.97 134.1 46.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 123.315 1.531 . . . . 0.0 112.825 170.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.95 48.5 3.12 Favored Glycine 0 CA--C 1.498 -0.997 0 O-C-N 119.972 -1.705 . . . . 0.0 113.755 173.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -68.53 159.99 30.76 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.945 0.872 . . . . 0.0 112.233 173.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 28.1 p -114.88 82.7 1.78 Allowed 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 125.53 1.532 . . . . 0.0 110.491 -175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 tt -97.06 132.19 42.14 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 122.552 1.168 . . . . 0.0 110.503 -174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -96.61 145.43 25.75 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 119.11 -2.244 . . . . 0.0 112.583 -173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 t -117.59 131.16 71.14 Favored 'Isoleucine or valine' 0 C--N 1.347 0.474 0 C-N-CA 124.821 1.248 . . . . 0.0 111.659 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.86 145.18 37.22 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.997 -1.064 . . . . 0.0 109.587 167.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -104.23 -141.71 0.36 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 124.039 0.935 . . . . 0.0 111.87 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -111.04 -175.06 2.61 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 120.004 -1.685 . . . . 0.0 110.471 173.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.34 118.07 25.55 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.817 -1.177 . . . . 0.0 112.55 -171.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.2 p -81.97 81.15 8.05 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 119.856 -1.777 . . . . 0.0 112.574 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.39 53.79 0.32 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 119.985 -1.697 . . . . 0.0 113.512 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.743 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 175.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.49 -0.29 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p 161.65 -125.34 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.497 0 C-N-CA 126.421 1.888 . . . . 0.0 106.338 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.33 29.67 0.01 OUTLIER 'General case' 0 C--N 1.349 0.587 0 C-N-CA 130.646 3.578 . . . . 0.0 117.586 -162.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 84.59 57.99 0.01 OUTLIER 'General case' 0 C--N 1.349 0.585 0 C-N-CA 129.337 3.055 . . . . 0.0 112.598 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.02 114.41 3.4 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 120.235 -1.54 . . . . 0.0 111.357 171.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.34 177.1 1.0 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 128.021 2.528 . . . . 0.0 105.893 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.92 -151.45 20.81 Favored Glycine 0 C--N 1.35 1.315 0 CA-C-N 119.239 0.927 . . . . 0.0 113.179 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 41.99 68.05 0.76 Allowed Glycine 0 C--N 1.354 1.568 0 C-N-CA 127.029 2.252 . . . . 0.0 117.905 174.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -112.66 137.55 50.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.351 1.06 . . . . 0.0 113.706 -171.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -156.02 -49.65 0.08 Allowed 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.388 -1.445 . . . . 0.0 111.424 170.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -151.82 131.0 12.72 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.687 -1.258 . . . . 0.0 110.859 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -137.43 160.66 38.47 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 119.997 -1.69 . . . . 0.0 111.586 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 pt -110.04 149.34 13.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 O-C-N 120.949 -1.094 . . . . 0.0 109.518 173.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -119.88 134.16 55.33 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -175.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -123.79 159.28 29.86 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.666 1.186 . . . . 0.0 111.529 -166.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -128.91 97.32 4.61 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 124.366 1.066 . . . . 0.0 111.611 -173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.72 100.05 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 O-C-N 120.671 -1.268 . . . . 0.0 109.528 176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -96.3 95.8 8.33 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.083 0.953 . . . . 0.0 110.925 -173.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.5 134.01 13.55 Favored Glycine 0 C--N 1.345 1.07 0 O-C-N 120.579 -1.326 . . . . 0.0 114.526 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -60.79 -26.24 67.13 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.713 -1.463 . . . . 0.0 113.37 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -67.1 -9.74 42.77 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.224 -1.547 . . . . 0.0 113.058 172.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 95.45 2.05 0.04 OUTLIER 'General case' 0 C--N 1.355 0.839 0 C-N-CA 130.226 3.411 . . . . 0.0 112.58 173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.75 107.84 18.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 O-C-N 120.358 -1.464 . . . . 0.0 110.839 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -103.71 130.52 54.05 Favored 'Isoleucine or valine' 0 C--N 1.35 0.607 0 C-N-CA 124.857 1.263 . . . . 0.0 109.551 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.64 144.86 36.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.773 -1.205 . . . . 0.0 112.817 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -93.87 121.55 35.45 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.503 -1.373 . . . . 0.0 112.562 177.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -106.27 168.65 9.0 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.309 1.044 . . . . 0.0 110.255 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -150.33 141.17 22.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.547 -1.346 . . . . 0.0 109.517 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 tt -140.93 159.23 23.55 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -75.22 145.63 41.84 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.586 -1.946 . . . . 0.0 110.083 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -68.56 -27.06 65.74 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.427 -2.046 . . . . 0.0 113.219 -174.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -72.39 -21.76 61.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 119.777 -1.827 . . . . 0.0 114.639 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.9 p -104.27 141.17 21.97 Favored Pre-proline 0 C--N 1.349 0.558 0 C-N-CA 124.316 1.046 . . . . 0.0 113.192 -166.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.32 161.18 38.2 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 123.081 2.521 . . . . 0.0 113.834 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.86 -45.08 37.54 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 125.172 1.389 . . . . 0.0 114.133 -167.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.7 -53.05 0.43 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 128.914 2.886 . . . . 0.0 117.861 -174.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -39.5 92.58 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.261 -1.524 . . . . 0.0 113.743 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.2 -43.52 81.9 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.976 -1.077 . . . . 0.0 111.392 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 89.5 mtp -55.97 -52.98 62.25 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 124.978 1.311 . . . . 0.0 112.831 175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -39.55 93.29 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.965 -1.085 . . . . 0.0 112.561 175.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.03 95.44 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.542 -1.349 . . . . 0.0 113.956 176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.2 -41.76 99.2 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.126 -1.609 . . . . 0.0 113.203 171.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.5 m -56.5 -49.79 73.68 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 119.557 1.071 . . . . 0.0 113.71 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.99 -53.72 52.07 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 125.129 1.372 . . . . 0.0 113.557 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -69.06 -45.29 70.75 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.84 -1.163 . . . . 0.0 113.654 -176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.45 -24.4 62.01 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.355 -0.84 . . . . 0.0 113.136 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.02 37.1 11.78 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 121.194 -0.941 . . . . 0.0 112.4 173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -120.82 163.31 18.35 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 123.836 0.854 . . . . 0.0 110.145 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -120.26 148.49 43.63 Favored 'General case' 0 CA--C 1.507 -0.684 0 O-C-N 120.451 -1.405 . . . . 0.0 112.043 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.46 -14.07 62.39 Favored 'General case' 0 C--N 1.35 0.597 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -174.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -49.38 -58.88 4.32 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.03 -1.669 . . . . 0.0 113.534 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.6 -11.73 10.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.832 1.253 . . . . 0.0 113.401 -170.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -105.49 103.61 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.038 -1.039 . . . . 0.0 110.406 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -87.25 114.54 23.94 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.331 -1.481 . . . . 0.0 110.691 172.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -97.66 137.5 36.48 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.007 0.923 . . . . 0.0 109.302 169.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -141.75 140.24 33.05 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.184 -0.947 . . . . 0.0 110.073 172.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -128.01 140.68 51.83 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.9 t0 54.2 33.03 17.16 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.182 1.468 . . . . 0.0 112.331 -172.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.06 -24.71 6.61 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.384 1.469 . . . . 0.0 114.785 -171.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -117.15 171.4 4.93 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 125.846 1.659 . . . . 0.0 114.068 -155.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -71.11 114.97 4.08 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.753 2.302 . . . . 0.0 113.424 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 tt -87.57 153.38 3.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 C-N-CA 125.345 1.458 . . . . 0.0 111.035 173.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -94.88 137.18 34.29 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.95 -1.719 . . . . 0.0 112.167 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -77.77 -4.48 46.58 Favored 'General case' 0 C--N 1.347 0.461 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -174.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -116.9 12.17 14.63 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 120.586 -1.322 . . . . 0.0 114.391 -158.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.94 -152.66 0.21 Allowed 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.524 -1.36 . . . . 0.0 110.131 170.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.98 140.07 13.47 Favored Pre-proline 0 C--N 1.346 0.433 0 O-C-N 119.562 -1.961 . . . . 0.0 108.949 -178.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.43 -25.64 55.84 Favored 'Trans proline' 0 CA--C 1.516 -0.376 0 CA-C-N 123.872 2.418 . . . . 0.0 113.789 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -77.77 -9.07 58.82 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.929 -1.107 . . . . 0.0 112.988 171.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.2 m -83.01 -44.77 14.85 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.354 -1.466 . . . . 0.0 109.794 171.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.45 -31.36 62.23 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.254 -0.904 . . . . 0.0 112.361 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.313 34.8 mt-10 82.85 -50.11 0.17 Allowed 'General case' 0 C--N 1.351 0.633 0 C-N-CA 128.467 2.707 . . . . 0.0 112.289 177.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 65.7 ttp -110.62 104.62 13.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 121.655 -0.653 . . . . 0.0 109.54 168.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -133.17 -15.23 2.57 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 123.108 1.432 . . . . 0.0 110.215 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -62.6 135.34 57.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.286 -2.134 . . . . 0.0 115.238 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 91.32 46.95 3.66 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 121.016 -1.052 . . . . 0.0 111.262 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 167.5 12.46 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.79 1.236 . . . . 0.0 112.594 177.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.8 p -148.0 58.69 1.11 Allowed 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.831 1.652 . . . . 0.0 109.035 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.4 tt -77.34 120.94 28.8 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 119.7 -1.875 . . . . 0.0 113.338 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -87.82 133.81 33.81 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 119.455 -2.028 . . . . 0.0 110.849 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.7 t -123.29 124.93 71.0 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-O 122.786 1.279 . . . . 0.0 111.228 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.1 m-30 -95.49 154.25 17.3 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 119.847 -1.783 . . . . 0.0 110.958 171.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -110.78 116.12 30.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 125.142 1.377 . . . . 0.0 107.867 169.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -151.45 101.16 2.79 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.722 1.249 . . . . 0.0 111.473 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.49 140.36 29.6 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.176 -1.578 . . . . 0.0 112.224 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.6 m 66.98 69.64 0.39 Allowed 'General case' 0 C--N 1.352 0.677 0 CA-C-O 123.321 1.534 . . . . 0.0 111.458 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.37 -158.52 31.46 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 108.495 -1.842 . . . . 0.0 108.495 -170.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.734 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.03 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.503 2.205 0 N-CA-C 118.735 2.865 . . . . 0.0 118.735 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -72.77 -61.88 1.65 Allowed 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.244 -1.535 . . . . 0.0 110.859 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.27 -104.54 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.556 1.142 . . . . 0.0 109.741 166.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 12.3 tt0 -90.44 178.84 6.01 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.136 -1.602 . . . . 0.0 112.843 -175.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' H ' ' HG2' ' A' ' 4' ' ' GLU 0.302 4.0 mppt? 51.79 94.59 0.02 OUTLIER 'General case' 0 C--N 1.353 0.725 0 C-N-CA 128.492 2.717 . . . . 0.0 115.207 -171.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -92.28 -117.96 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 125.332 1.453 . . . . 0.0 110.884 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.13 -69.4 0.17 Allowed Glycine 0 C--N 1.347 1.15 0 O-C-N 119.302 -2.123 . . . . 0.0 112.567 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.6 83.41 0.88 Allowed Glycine 0 C--N 1.348 1.247 0 C-N-CA 123.673 0.654 . . . . 0.0 112.331 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -72.39 114.73 10.83 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 124.738 1.215 . . . . 0.0 111.371 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.62 -166.58 0.68 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 103.12 -2.918 . . . . 0.0 103.12 175.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -54.05 130.71 38.86 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -165.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -157.24 148.86 22.23 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.712 -1.868 . . . . 0.0 111.594 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -101.07 148.78 6.77 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 O-C-N 120.738 -1.226 . . . . 0.0 111.851 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -93.26 135.73 34.19 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 121.036 -1.04 . . . . 0.0 110.173 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.35 132.62 55.36 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 121.545 -0.722 . . . . 0.0 109.246 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -107.46 121.37 44.48 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.549 1.139 . . . . 0.0 109.738 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.68 108.85 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 C-N-CA 125.084 1.354 . . . . 0.0 109.01 -177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.0 112.98 25.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 120.86 -1.15 . . . . 0.0 110.175 -178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 124.93 8.32 Favored Glycine 0 C--N 1.347 1.163 0 O-C-N 120.555 -1.341 . . . . 0.0 111.347 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -67.48 -11.83 58.84 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.15 -1.206 . . . . 0.0 114.101 -177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -46.08 -23.19 0.29 Allowed 'General case' 0 C--N 1.35 0.591 0 C-N-CA 127.668 2.387 . . . . 0.0 116.087 156.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 100.43 44.95 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 C-N-CA 130.238 3.415 . . . . 0.0 111.737 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.0 161.26 38.1 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.496 -1.378 . . . . 0.0 110.481 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.84 137.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.958 -1.089 . . . . 0.0 110.118 -177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.9 t -114.29 147.1 18.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -133.99 144.16 48.58 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.519 -1.988 . . . . 0.0 110.089 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -146.01 176.53 9.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.6 0.76 . . . . 0.0 109.031 171.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 137.63 37.24 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 121.078 -1.014 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.7 tt -123.51 146.01 29.59 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 O-C-N 121.158 -0.964 . . . . 0.0 111.604 -174.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.11 149.44 41.06 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.216 1.406 . . . . 0.0 110.463 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.7 -39.08 93.04 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 119.785 -1.822 . . . . 0.0 115.054 -169.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -17.19 58.51 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.9 p -91.49 130.47 39.28 Favored Pre-proline 0 C--N 1.35 0.62 0 O-C-N 120.058 -1.651 . . . . 0.0 112.937 -172.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -71.96 157.4 54.78 Favored 'Trans proline' 0 CA--C 1.519 -0.235 0 C-N-CA 122.504 2.136 . . . . 0.0 113.463 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.43 -38.61 81.35 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 124.369 1.068 . . . . 0.0 113.065 -169.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -50.79 -38.35 47.87 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.762 1.225 . . . . 0.0 114.298 177.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -58.86 -46.04 88.69 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.771 -1.206 . . . . 0.0 113.643 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -72.76 -48.36 38.98 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.709 -1.245 . . . . 0.0 111.186 175.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 93.7 mmm -57.98 -44.88 87.38 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.864 -1.148 . . . . 0.0 113.645 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.65 -44.79 89.31 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.869 1.267 . . . . 0.0 111.609 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.58 78.89 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 121.022 -1.049 . . . . 0.0 112.796 176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.6 -50.3 65.61 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.454 1.102 . . . . 0.0 112.975 173.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 97.2 m -56.57 -51.16 69.67 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.665 -1.272 . . . . 0.0 114.054 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -67.6 -40.37 84.78 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.24 1.016 . . . . 0.0 111.98 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.3 ttt85 -67.9 -38.5 83.05 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 119.886 -1.759 . . . . 0.0 113.666 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.57 85.13 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.296 -1.502 . . . . 0.0 111.512 171.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 103.14 48.38 1.24 Allowed Glycine 0 CA--C 1.497 -1.075 0 C-N-CA 124.54 1.067 . . . . 0.0 110.934 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -137.11 161.98 34.65 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.418 -1.048 . . . . 0.0 110.21 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.9 m -105.85 163.06 13.02 Favored 'General case' 0 CA--C 1.511 -0.525 0 O-C-N 121.415 -0.803 . . . . 0.0 110.022 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -72.09 -14.71 61.92 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 119.986 -1.696 . . . . 0.0 111.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -54.25 -50.92 66.1 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 127.341 2.256 . . . . 0.0 115.021 167.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.2 m -86.66 -11.78 11.03 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 121.05 -1.032 . . . . 0.0 113.564 -169.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.8 t -105.05 130.43 56.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 124.498 1.119 . . . . 0.0 109.209 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -114.19 149.44 35.74 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 119.869 -1.769 . . . . 0.0 108.114 170.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -155.74 153.77 30.41 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 56.3 mtm-85 -144.82 153.59 41.79 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 124.083 0.953 . . . . 0.0 109.681 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -133.4 127.43 33.41 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 125.022 1.329 . . . . 0.0 108.194 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 51.45 29.53 5.37 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.697 1.739 . . . . 0.0 115.697 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.52 -35.7 4.88 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 120.049 -1.657 . . . . 0.0 113.427 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -94.17 162.34 26.8 Favored Pre-proline 0 N--CA 1.453 -0.296 0 C-N-CA 125.251 1.42 . . . . 0.0 112.731 -171.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -70.35 159.25 53.61 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 CA-C-N 122.435 1.905 . . . . 0.0 110.389 157.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 tp -132.71 147.89 31.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 O-C-N 121.565 -0.71 . . . . 0.0 109.432 -171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -95.41 147.0 23.98 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.507 -1.37 . . . . 0.0 110.213 171.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.85 4.75 51.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.816 1.647 . . . . 0.0 112.294 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -77.45 -57.88 3.58 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 120.772 -1.205 . . . . 0.0 112.426 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.8 136.3 57.74 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.7 161.79 54.95 Favored Pre-proline 0 C--N 1.346 0.425 0 C-N-CA 125.602 1.561 . . . . 0.0 112.649 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.27 -9.2 22.95 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 121.786 1.658 . . . . 0.0 112.052 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.5 p -62.59 -35.36 79.29 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 125.548 1.539 . . . . 0.0 111.993 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.0 m -86.01 -38.51 17.81 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.948 1.299 . . . . 0.0 112.259 172.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 tp -73.56 -36.58 65.64 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 76.82 -5.81 2.12 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.852 2.168 . . . . 0.0 116.852 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -67.38 169.37 9.07 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -86.97 155.71 20.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.159 1.457 . . . . 0.0 113.813 -168.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.59 57.23 1.56 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.318 -2.114 . . . . 0.0 115.614 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.79 41.69 0.09 OUTLIER Glycine 0 CA--C 1.497 -1.074 0 O-C-N 120.864 -1.148 . . . . 0.0 110.65 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -88.46 163.72 15.81 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-O 122.135 0.969 . . . . 0.0 113.393 -167.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.0 p -117.5 113.84 22.59 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.511 1.524 . . . . 0.0 112.635 -171.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 tt -111.38 143.29 21.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.816 -1.178 . . . . 0.0 108.735 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -101.6 148.89 24.69 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.885 -1.76 . . . . 0.0 112.454 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.8 t -126.35 134.67 65.87 Favored 'Isoleucine or valine' 0 C--N 1.345 0.389 0 C-N-CA 125.508 1.523 . . . . 0.0 109.601 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.11 120.29 31.91 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 172.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -106.36 173.87 6.13 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.329 -1.482 . . . . 0.0 113.0 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -74.98 -10.91 59.92 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.344 1.458 . . . . 0.0 113.532 160.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -91.41 174.61 7.28 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.799 1.24 . . . . 0.0 111.585 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.0 p -129.18 59.81 1.57 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 121.105 -0.997 . . . . 0.0 108.873 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.76 -104.02 3.05 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 120.566 -1.334 . . . . 0.0 113.254 -176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.626 0 O-C-N 121.202 -1.175 . . . . 0.0 112.593 177.185 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -179.62 -56.4 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.842 0 O-C-N 121.235 -0.916 . . . . 0.0 111.873 -177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -160.81 169.81 21.96 Favored 'General case' 0 N--CA 1.44 -0.964 0 N-CA-C 106.193 -1.78 . . . . 0.0 106.193 -168.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -81.87 95.56 7.37 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-O 122.187 0.994 . . . . 0.0 111.222 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -160.66 36.06 0.16 Allowed 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.945 -1.097 . . . . 0.0 112.697 -174.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -133.69 139.62 46.53 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.016 -1.678 . . . . 0.0 111.049 -177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.65 140.29 13.17 Favored Glycine 0 CA--C 1.492 -1.345 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 163.03 -176.81 39.25 Favored Glycine 0 CA--C 1.494 -1.222 0 N-CA-C 107.92 -2.072 . . . . 0.0 107.92 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 65.99 33.99 7.35 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 124.043 1.878 . . . . 0.0 113.221 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -76.23 159.05 31.01 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.165 1.386 . . . . 0.0 111.07 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 69.49 48.91 0.6 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-O 123.948 1.832 . . . . 0.0 113.964 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -96.73 134.87 39.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 120.116 -1.615 . . . . 0.0 111.747 172.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 pt -105.51 152.27 7.39 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 C-N-CA 124.297 1.039 . . . . 0.0 110.406 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -92.88 124.37 36.82 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 121.349 -0.844 . . . . 0.0 111.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -113.42 125.64 54.46 Favored 'General case' 0 C--N 1.345 0.402 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -108.69 140.55 41.93 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.962 -1.086 . . . . 0.0 110.598 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -111.42 122.36 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 123.929 0.892 . . . . 0.0 108.969 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.55 98.18 7.6 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 121.39 -0.819 . . . . 0.0 110.511 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.93 137.73 19.76 Favored Glycine 0 C--N 1.347 1.185 0 O-C-N 120.065 -1.647 . . . . 0.0 114.749 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -67.57 -28.98 68.23 Favored 'General case' 0 C--N 1.345 0.377 0 O-C-N 120.703 -1.469 . . . . 0.0 111.409 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -78.04 21.36 0.33 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.415 1.886 . . . . 0.0 113.197 166.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 75.97 -8.14 1.68 Allowed 'General case' 0 C--N 1.353 0.756 0 C-N-CA 127.73 2.412 . . . . 0.0 115.858 166.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 126.06 30.25 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 120.963 -1.086 . . . . 0.0 112.914 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.36 124.01 70.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 O-C-N 121.152 -0.968 . . . . 0.0 109.249 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.3 m -134.99 161.91 39.38 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 O-C-N 121.152 -0.968 . . . . 0.0 108.959 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -149.79 130.95 14.48 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.517 -1.365 . . . . 0.0 113.064 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -124.82 162.76 23.62 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.468 1.107 . . . . 0.0 111.17 -168.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -119.43 136.29 54.37 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.065 0.946 . . . . 0.0 109.543 176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -139.16 151.37 23.18 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.85 -1.156 . . . . 0.0 109.085 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -66.34 128.47 36.28 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.193 -1.567 . . . . 0.0 109.96 167.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.7 -32.26 73.72 Favored 'General case' 0 C--N 1.351 0.635 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -84.76 51.4 2.13 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 120.073 -1.642 . . . . 0.0 112.446 176.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.0 p -141.63 149.75 54.87 Favored Pre-proline 0 C--N 1.351 0.641 0 O-C-N 120.531 -1.356 . . . . 0.0 108.626 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.82 146.13 26.08 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 121.916 1.744 . . . . 0.0 112.536 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.11 -29.32 63.96 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.28 -0.888 . . . . 0.0 112.901 -173.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -57.29 -26.93 61.64 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 119.931 -1.731 . . . . 0.0 113.8 174.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.17 -44.88 94.69 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.471 -1.393 . . . . 0.0 112.185 170.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.5 -47.92 74.34 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.057 0.943 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.0 mmt -52.68 -52.02 57.75 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -61.06 -48.04 83.59 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.331 1.052 . . . . 0.0 112.729 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.43 90.01 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.0 -1.687 . . . . 0.0 113.489 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -66.76 -48.91 67.6 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 120.643 -1.286 . . . . 0.0 112.615 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.34 -38.53 90.42 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.292 -1.505 . . . . 0.0 113.671 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -64.14 -23.13 67.2 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 173.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.46 -44.08 9.33 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.361 -1.462 . . . . 0.0 112.161 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 119.85 -1.781 . . . . 0.0 114.394 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.37 60.59 1.63 Allowed Glycine 0 C--N 1.347 1.178 0 O-C-N 121.365 -0.835 . . . . 0.0 111.684 -174.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -147.34 175.24 10.94 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -104.1 138.03 41.19 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 120.77 -1.206 . . . . 0.0 111.07 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.4 tpt -64.22 -37.93 89.22 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.631 -1.293 . . . . 0.0 112.412 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -37.16 -44.26 0.55 Allowed 'General case' 0 C--N 1.347 0.496 0 C-N-CA 129.579 3.152 . . . . 0.0 116.991 174.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.8 m -95.85 -4.23 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 O-C-N 120.961 -1.087 . . . . 0.0 113.654 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.7 t -109.34 81.84 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.649 0 O-C-N 120.734 -1.229 . . . . 0.0 109.109 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -90.76 99.93 12.87 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 119.486 -2.009 . . . . 0.0 114.65 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -73.58 143.8 46.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 126.486 1.915 . . . . 0.0 113.189 172.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -138.46 142.27 39.44 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 124.553 1.141 . . . . 0.0 108.128 165.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -111.87 125.65 54.25 Favored 'General case' 0 C--N 1.343 0.285 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 61.05 25.72 15.72 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 123.887 1.803 . . . . 0.0 112.194 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.65 1.14 76.26 Favored Glycine 0 C--N 1.349 1.281 0 O-C-N 120.148 -1.595 . . . . 0.0 115.594 -170.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -113.54 155.46 44.79 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 119.701 1.751 . . . . 0.0 112.592 -172.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.52 157.89 44.41 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.176 1.917 . . . . 0.0 110.821 165.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.9 tt -152.97 157.69 4.57 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 O-C-N 121.057 -1.027 . . . . 0.0 109.532 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -69.95 127.44 32.87 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.558 -1.339 . . . . 0.0 110.605 173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -77.82 -29.54 50.7 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 122.385 1.088 . . . . 0.0 111.818 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -82.49 0.38 42.69 Favored 'General case' 0 N--CA 1.449 -0.508 0 O-C-N 120.336 -1.477 . . . . 0.0 111.12 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -174.35 4.68 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-O 123.267 1.508 . . . . 0.0 114.28 -174.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 55.1 p -125.25 133.52 24.92 Favored Pre-proline 0 C--N 1.344 0.341 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.931 -164.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.09 1.6 8.52 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.355 2.037 . . . . 0.0 112.182 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.4 p -75.2 -41.88 56.81 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 125.949 1.7 . . . . 0.0 110.482 163.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -60.16 -49.21 78.55 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 122.364 1.078 . . . . 0.0 111.875 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.0 mt -71.15 -19.32 62.44 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 55.27 51.45 13.1 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.845 1.658 . . . . 0.0 115.247 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -94.49 150.82 19.88 Favored 'General case' 0 C--N 1.346 0.441 0 O-C-N 120.495 -1.378 . . . . 0.0 112.041 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -93.8 -99.5 0.14 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 125.49 1.516 . . . . 0.0 111.876 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.47 156.69 45.21 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.266 -1.521 . . . . 0.0 108.015 166.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 90.51 60.92 1.33 Allowed Glycine 0 CA--C 1.497 -1.066 0 O-C-N 121.358 -0.839 . . . . 0.0 113.577 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -74.77 154.46 38.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 122.021 -0.694 . . . . 0.0 109.803 172.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.7 p -142.13 81.14 1.74 Allowed 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 124.618 1.167 . . . . 0.0 108.344 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.79 123.76 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-O 122.454 1.121 . . . . 0.0 110.178 -176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.92 133.87 35.67 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 119.705 -1.872 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.36 125.15 74.16 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.507 0 O-C-N 120.512 -1.367 . . . . 0.0 110.797 -171.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.72 109.35 21.02 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 170.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.02 169.82 12.09 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.964 -1.085 . . . . 0.0 108.874 166.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -72.29 167.43 20.44 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 119.214 -2.179 . . . . 0.0 111.256 167.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.79 170.66 10.57 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.783 -1.823 . . . . 0.0 113.457 -175.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . 0.284 88.4 m 75.41 74.16 0.09 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 126.394 1.878 . . . . 0.0 111.608 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.94 -108.44 0.36 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 120.731 -1.231 . . . . 0.0 112.51 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.532 0 O-C-N 121.262 -1.14 . . . . 0.0 111.227 -177.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' SER . 18.9 mmt . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' MET . 3.8 m -89.28 -153.85 0.28 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.757 1.623 . . . . 0.0 113.172 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 t70 53.87 48.99 20.06 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 125.746 1.619 . . . . 0.0 114.398 172.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.64 41.8 18.21 Favored 'General case' 0 C--N 1.349 0.56 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 pttt -145.55 51.76 1.19 Allowed 'General case' 0 C--N 1.347 0.498 0 O-C-N 119.789 -1.819 . . . . 0.0 111.265 173.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -122.88 171.67 9.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.881 1.672 . . . . 0.0 107.965 165.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.74 -79.08 1.88 Allowed Glycine 0 C--N 1.347 1.194 0 O-C-N 120.605 -1.309 . . . . 0.0 114.616 168.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.92 117.84 1.54 Allowed Glycine 0 C--N 1.343 0.932 0 O-C-N 121.95 -0.735 . . . . 0.0 111.357 -174.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -135.41 123.88 23.44 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.277 -1.131 . . . . 0.0 109.226 -177.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.4 t -142.54 -165.71 2.1 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.901 -1.125 . . . . 0.0 108.387 -177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 52.88 64.62 1.79 Allowed 'General case' 0 C--N 1.35 0.628 0 C-N-CA 127.586 2.354 . . . . 0.0 115.276 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -139.28 148.37 42.9 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -171.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 pt -103.64 170.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.744 1.618 . . . . 0.0 110.298 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -122.99 133.57 54.36 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 121.058 -1.026 . . . . 0.0 111.166 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.76 130.5 55.56 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -114.35 111.07 20.88 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.851 -1.156 . . . . 0.0 109.144 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.06 110.15 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 O-C-N 121.066 -1.021 . . . . 0.0 109.834 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.51 120.34 28.71 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 120.998 -1.064 . . . . 0.0 111.142 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.48 144.68 19.93 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 120.169 -1.582 . . . . 0.0 113.885 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -68.63 -28.98 67.38 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 121.116 -1.226 . . . . 0.0 113.603 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -94.96 67.61 3.13 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 119.692 -1.88 . . . . 0.0 109.693 160.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 74.17 -46.08 0.61 Allowed 'General case' 0 C--N 1.341 0.202 0 N-CA-C 117.622 2.452 . . . . 0.0 117.622 156.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.58 131.74 40.21 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -103.05 138.41 27.45 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 C-N-CA 124.526 1.131 . . . . 0.0 108.836 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.63 128.14 75.21 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 120.475 -1.391 . . . . 0.0 108.801 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -106.81 138.32 43.21 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.141 -1.599 . . . . 0.0 112.654 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -121.1 170.22 9.76 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-O 122.57 1.176 . . . . 0.0 111.778 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -147.87 125.13 11.51 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.748 1.219 . . . . 0.0 108.399 -173.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.9 tt -147.59 155.34 10.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 O-C-N 120.862 -1.149 . . . . 0.0 109.41 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -75.44 163.45 27.4 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 119.724 -1.86 . . . . 0.0 111.139 169.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -75.92 -13.83 60.26 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 120.489 -1.382 . . . . 0.0 113.626 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -93.99 -18.86 21.44 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 125.271 1.428 . . . . 0.0 113.619 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -102.87 128.59 27.49 Favored Pre-proline 0 C--N 1.345 0.4 0 O-C-N 120.694 -1.253 . . . . 0.0 107.738 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -81.25 158.1 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 122.302 1.858 . . . . 0.0 112.263 -162.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.71 -40.89 80.61 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 125.25 1.42 . . . . 0.0 112.175 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -52.88 -34.86 56.65 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 116.11 1.892 . . . . 0.0 116.11 171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.11 -44.25 84.87 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.173 -1.579 . . . . 0.0 111.568 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.98 -46.11 90.67 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.698 1.199 . . . . 0.0 111.965 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmt -55.16 -59.36 4.88 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -60.95 -39.27 88.89 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.542 -1.348 . . . . 0.0 113.546 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.69 83.58 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.678 -1.264 . . . . 0.0 113.896 174.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.64 -32.59 72.55 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.404 -1.435 . . . . 0.0 113.496 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.8 m -55.86 -56.21 23.29 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.524 1.511 . . . . 0.0 112.969 168.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -57.65 -43.5 84.96 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.886 1.274 . . . . 0.0 113.121 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -75.31 -36.4 61.12 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 119.895 -1.753 . . . . 0.0 115.683 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -46.34 46.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 120.248 -1.533 . . . . 0.0 111.678 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.34 35.34 33.78 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 121.132 -0.98 . . . . 0.0 111.04 -173.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -86.1 167.25 15.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.488 1.115 . . . . 0.0 111.511 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -106.83 116.32 31.72 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 120.814 -1.178 . . . . 0.0 110.882 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 35.4 tpp -69.61 -14.15 62.68 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 120.063 -1.648 . . . . 0.0 113.76 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -69.56 -11.98 61.27 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.349 -1.47 . . . . 0.0 114.749 168.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.68 15.36 5.94 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 119.958 -1.714 . . . . 0.0 112.285 175.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.86 132.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.349 0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 109.087 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -143.14 150.11 39.0 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.648 -1.282 . . . . 0.0 108.612 165.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -128.51 152.71 47.95 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.072 0.949 . . . . 0.0 110.698 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -157.83 158.78 35.82 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 121.147 -0.971 . . . . 0.0 113.215 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -135.1 136.54 42.04 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 174.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 47.03 44.51 15.06 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.23 1.412 . . . . 0.0 114.662 -174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.84 -31.26 3.37 Favored Glycine 0 C--N 1.349 1.294 0 O-C-N 120.071 -1.643 . . . . 0.0 115.731 -175.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -96.13 138.98 21.57 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 124.722 1.209 . . . . 0.0 114.064 -163.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -72.61 138.39 29.31 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.497 2.132 . . . . 0.0 111.743 169.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.2 tt -106.54 162.09 5.45 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 C-N-CA 123.892 0.877 . . . . 0.0 112.335 -171.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -99.6 121.7 41.58 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.603 -1.311 . . . . 0.0 109.418 171.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -81.49 11.99 4.11 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.854 -1.779 . . . . 0.0 114.549 -175.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -102.64 2.24 35.71 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.844 1.658 . . . . 0.0 112.477 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -81.8 171.11 14.91 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.053 -1.03 . . . . 0.0 109.472 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 p -132.47 148.53 69.99 Favored Pre-proline 0 N--CA 1.473 0.705 0 O-C-N 120.33 -1.481 . . . . 0.0 112.637 -172.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.15 1.74 8.39 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 121.87 1.714 . . . . 0.0 113.29 176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.3 p -89.05 -31.02 18.26 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.266 1.394 . . . . 0.0 110.728 164.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.1 m -66.42 -34.32 77.69 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.156 0.983 . . . . 0.0 113.62 170.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -101.41 -69.13 0.79 Allowed 'General case' 0 CA--C 1.513 -0.462 0 O-C-N 120.147 -1.595 . . . . 0.0 112.362 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 84.36 48.59 0.01 OUTLIER 'General case' 0 C--N 1.349 0.579 0 C-N-CA 127.733 2.413 . . . . 0.0 112.674 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -145.59 -5.58 0.64 Allowed 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.712 -1.242 . . . . 0.0 112.698 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 46.32 1.35 Allowed 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 119.913 -1.742 . . . . 0.0 114.226 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -78.95 -39.53 34.31 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.219 -2.175 . . . . 0.0 111.603 174.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.93 92.92 0.43 Allowed Glycine 0 C--N 1.349 1.255 0 C-N-CA 124.4 1.0 . . . . 0.0 111.538 174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -84.38 163.16 19.71 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.035 0.921 . . . . 0.0 111.474 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 p -152.72 51.62 0.76 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 127.21 2.204 . . . . 0.0 109.373 177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.8 tt -68.48 138.26 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 O-C-N 119.405 -2.059 . . . . 0.0 113.788 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -96.06 151.49 19.41 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 118.556 -2.59 . . . . 0.0 111.942 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 p -125.56 129.07 72.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-O 123.36 1.553 . . . . 0.0 112.098 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -87.45 134.35 33.61 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.391 -1.443 . . . . 0.0 108.141 170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -136.96 154.26 50.48 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.907 1.283 . . . . 0.0 108.619 -167.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -21.04 45.05 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 120.348 -1.47 . . . . 0.0 113.564 170.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -76.57 126.27 30.69 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.881 -1.137 . . . . 0.0 111.982 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 m -139.02 134.61 33.26 Favored 'General case' 0 CA--C 1.505 -0.784 0 O-C-N 120.897 -1.127 . . . . 0.0 108.836 171.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.99 -71.52 0.07 OUTLIER Glycine 0 CA--C 1.493 -1.293 0 O-C-N 120.285 -1.509 . . . . 0.0 112.671 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 -176.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m 64.82 -75.73 0.04 OUTLIER 'General case' 0 C--N 1.355 0.838 0 C-N-CA 126.566 1.947 . . . . 0.0 114.229 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.4 71.69 10.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.742 -1.223 . . . . 0.0 108.016 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.346 53.0 tt0 9.87 -77.77 0.0 OUTLIER 'General case' 0 C--N 1.358 0.973 0 C-N-CA 130.767 3.627 . . . . 0.0 118.485 -155.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 82.04 -13.38 0.87 Allowed 'General case' 0 C--N 1.348 0.513 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 163.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 151.67 21.91 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.207 -1.558 . . . . 0.0 111.289 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.06 22.02 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 120.82 -1.175 . . . . 0.0 112.817 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.04 164.83 28.22 Favored Glycine 0 C--N 1.344 0.994 0 O-C-N 121.502 -0.999 . . . . 0.0 111.224 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -127.52 -59.93 1.2 Allowed 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 124.798 1.239 . . . . 0.0 110.126 173.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -169.93 -171.27 1.14 Allowed 'General case' 0 C--N 1.347 0.467 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 175.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -59.27 122.44 13.88 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.147 -1.596 . . . . 0.0 112.889 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.99 158.01 42.51 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.491 -2.006 . . . . 0.0 110.567 -170.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.9 pt -136.95 164.01 31.28 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 O-C-N 121.249 -0.907 . . . . 0.0 109.503 171.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -104.38 150.56 24.4 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.929 -1.107 . . . . 0.0 111.704 168.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.48 142.73 47.29 Favored 'General case' 0 C--N 1.347 0.474 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 169.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -103.34 134.97 45.83 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.752 1.221 . . . . 0.0 109.74 166.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.1 t -107.93 113.61 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 O-C-N 121.414 -0.804 . . . . 0.0 108.838 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 mp -87.85 92.75 9.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 O-C-N 121.05 -1.031 . . . . 0.0 109.458 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.64 121.63 5.56 Favored Glycine 0 C--N 1.353 1.475 0 O-C-N 121.068 -1.02 . . . . 0.0 111.646 176.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -67.7 -17.59 64.63 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -170.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.7 p-10 -82.05 10.64 6.26 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.314 -1.491 . . . . 0.0 112.815 170.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.7 m120 80.39 7.44 1.49 Allowed 'General case' 0 C--N 1.352 0.68 0 C-N-CA 128.713 2.805 . . . . 0.0 112.643 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.68 70.13 10.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 122.621 1.2 . . . . 0.0 112.255 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.9 t -77.56 136.37 24.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 C-N-CA 125.427 1.491 . . . . 0.0 111.244 -176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.5 p -141.22 159.16 22.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 O-C-N 120.189 -1.569 . . . . 0.0 108.91 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 153.48 41.49 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 119.687 -1.883 . . . . 0.0 109.918 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -153.73 154.42 34.03 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 121.281 -0.887 . . . . 0.0 111.477 -176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -95.97 132.43 41.31 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.208 1.004 . . . . 0.0 111.803 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.8 tt -112.31 144.44 20.04 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.77 1.228 . . . . 0.0 109.316 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.8 tptm -80.19 125.53 29.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.579 -1.326 . . . . 0.0 108.09 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -75.72 -7.34 54.12 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.437 -2.039 . . . . 0.0 116.338 -156.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -66.91 -47.5 71.56 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.22 -1.55 . . . . 0.0 113.315 167.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 p -74.2 140.68 76.72 Favored Pre-proline 0 C--N 1.348 0.54 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -163.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.21 172.73 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.484 2.123 . . . . 0.0 111.424 168.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.92 -28.52 60.64 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -47.92 -46.88 32.37 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 117.368 2.359 . . . . 0.0 117.368 -172.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -34.68 77.72 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 120.662 -1.274 . . . . 0.0 112.328 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.72 -49.0 19.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 O-C-N 120.736 -1.228 . . . . 0.0 110.875 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -63.41 1.13 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.98 1.712 . . . . 0.0 114.172 178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -71.87 -27.21 62.71 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.073 -1.017 . . . . 0.0 112.718 -175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.11 92.31 Favored 'General case' 0 C--N 1.35 0.593 0 O-C-N 120.631 -1.293 . . . . 0.0 112.671 167.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -62.22 -42.06 98.96 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 119.77 -1.831 . . . . 0.0 113.122 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -54.68 -57.37 11.75 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.993 -1.067 . . . . 0.0 113.73 171.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -75.98 -26.12 56.46 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -175.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -82.45 -19.63 38.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.268 -2.145 . . . . 0.0 113.356 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.51 -42.78 13.26 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.856 -1.152 . . . . 0.0 112.521 169.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.34 42.46 1.75 Allowed Glycine 0 C--N 1.348 1.248 0 C-N-CA 125.054 1.311 . . . . 0.0 112.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 pp -136.32 171.79 13.96 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.563 -0.963 . . . . 0.0 111.809 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 m -118.82 143.58 46.85 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.57 -1.331 . . . . 0.0 111.887 -171.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.71 -26.47 67.03 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.556 -1.34 . . . . 0.0 113.192 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -49.28 -48.79 45.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 168.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.96 -32.72 8.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.572 -1.33 . . . . 0.0 111.963 -177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.8 t -70.39 120.87 18.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 O-C-N 120.749 -1.22 . . . . 0.0 111.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.19 99.75 7.85 Favored 'General case' 0 C--N 1.343 0.325 0 O-C-N 119.425 -2.047 . . . . 0.0 108.481 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -101.98 145.17 29.65 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.754 -1.217 . . . . 0.0 111.439 -174.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.42 147.24 39.41 Favored 'General case' 0 C--N 1.345 0.393 0 O-C-N 120.732 -1.23 . . . . 0.0 109.806 172.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -128.66 142.03 51.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.0 t70 63.77 22.11 12.94 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 123.433 1.587 . . . . 0.0 111.396 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -18.36 22.39 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 120.083 -1.636 . . . . 0.0 114.361 -170.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -113.13 164.72 14.84 Favored Pre-proline 0 CA--C 1.536 0.414 0 C-N-CA 126.137 1.775 . . . . 0.0 113.364 -161.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.93 117.3 5.01 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 C-N-CA 122.316 2.011 . . . . 0.0 112.803 167.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.9 tt -94.36 144.75 9.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 C-N-CA 125.555 1.542 . . . . 0.0 112.589 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.23 123.43 41.01 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.45 -1.406 . . . . 0.0 112.139 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -71.72 -2.75 18.52 Favored 'General case' 0 C--N 1.349 0.577 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -85.54 -22.29 28.18 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 124.831 1.252 . . . . 0.0 111.731 -176.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 122.17 20.0 Favored 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 120.688 -1.257 . . . . 0.0 109.638 174.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.6 p -79.22 147.37 68.94 Favored Pre-proline 0 C--N 1.347 0.488 0 O-C-N 119.924 -1.735 . . . . 0.0 111.206 -172.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -70.49 -16.14 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 CA-C-N 123.415 2.255 . . . . 0.0 112.781 -173.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.1 t -78.48 -24.72 45.76 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 119.541 1.064 . . . . 0.0 112.606 169.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.2 m -72.52 -41.71 65.58 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.159 -1.588 . . . . 0.0 110.604 169.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.32 -35.44 79.43 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.734 177.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 68.22 44.53 1.37 Allowed 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.244 1.418 . . . . 0.0 113.843 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 52.0 mtm -95.91 -177.71 4.12 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.691 -1.255 . . . . 0.0 112.637 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -120.31 -176.57 3.24 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.43 1.092 . . . . 0.0 113.718 -162.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.97 86.53 7.37 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 120.121 -1.612 . . . . 0.0 113.217 -172.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.21 64.95 0.08 OUTLIER Glycine 0 C--N 1.346 1.118 0 O-C-N 121.036 -1.04 . . . . 0.0 111.59 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -89.99 160.86 16.16 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.766 -0.843 . . . . 0.0 111.857 -173.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.1 p -133.0 114.26 13.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.1 -1.625 . . . . 0.0 113.947 -169.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -114.27 138.64 43.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.618 0 O-C-N 120.655 -1.278 . . . . 0.0 111.679 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.84 138.52 31.92 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 120.094 -1.629 . . . . 0.0 111.748 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.8 t -127.96 116.35 42.39 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 CA-C-O 122.605 1.193 . . . . 0.0 110.953 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.02 123.9 33.77 Favored 'General case' 0 N--CA 1.442 -0.867 0 O-C-N 121.104 -0.998 . . . . 0.0 108.663 167.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -136.36 137.59 40.73 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -148.95 -70.39 0.21 Allowed 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.597 -0.69 . . . . 0.0 109.258 174.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -62.95 126.67 28.1 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.782 1.233 . . . . 0.0 112.314 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.9 p -87.58 162.39 17.2 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 122.988 1.375 . . . . 0.0 114.584 -164.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.65 -34.29 1.91 Allowed Glycine 0 C--N 1.345 1.072 0 C-N-CA 124.955 1.264 . . . . 0.0 110.539 172.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.514 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.445 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.499 2.022 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -88.22 65.93 8.27 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 119.727 -1.858 . . . . 0.0 109.945 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -137.01 -84.19 0.34 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 124.072 1.891 . . . . 0.0 109.834 -167.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' A' ' 5' ' ' LYS . 3.6 pt-20 -145.56 -65.57 0.32 Allowed 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 128.366 2.666 . . . . 0.0 105.399 -165.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -72.36 105.19 4.0 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 127.504 2.322 . . . . 0.0 112.831 171.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.5 171.27 20.19 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 121.034 -1.041 . . . . 0.0 111.074 -171.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.47 44.27 6.6 Favored Glycine 0 C--N 1.35 1.312 0 O-C-N 120.809 -1.182 . . . . 0.0 115.958 173.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.76 93.17 0.05 OUTLIER Glycine 0 C--N 1.345 1.038 0 N-CA-C 115.606 1.002 . . . . 0.0 115.606 174.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -93.67 130.37 39.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 120.815 -1.403 . . . . 0.0 112.911 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -167.4 -171.84 1.8 Allowed 'General case' 0 C--N 1.344 0.358 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -40.81 109.34 0.11 Allowed 'General case' 0 C--N 1.352 0.674 0 C-N-CA 129.375 3.07 . . . . 0.0 116.904 -171.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -139.08 159.81 41.26 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.6 pt -125.18 142.21 42.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 C-N-CA 123.848 0.859 . . . . 0.0 110.686 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -86.44 123.12 31.32 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.926 -1.109 . . . . 0.0 112.721 176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.47 140.01 40.04 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 125.552 1.541 . . . . 0.0 109.795 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -115.99 114.72 24.99 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.041 -1.037 . . . . 0.0 110.034 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -99.94 115.05 40.17 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 O-C-N 120.419 -1.425 . . . . 0.0 109.56 -178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -110.84 117.38 33.25 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.51 0.724 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.08 147.51 18.61 Favored Glycine 0 C--N 1.347 1.141 0 O-C-N 120.659 -1.276 . . . . 0.0 112.981 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -66.82 -19.64 65.78 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.502 -1.587 . . . . 0.0 112.692 173.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.07 -7.1 53.93 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 130.397 3.479 . . . . 0.0 113.507 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.265 27.0 m120 75.42 21.98 1.72 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.327 2.251 . . . . 0.0 114.839 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.07 131.8 35.15 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 120.56 -1.338 . . . . 0.0 110.392 158.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.55 117.34 23.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.442 0 O-C-N 120.779 -1.2 . . . . 0.0 109.273 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.26 147.11 32.89 Favored 'Isoleucine or valine' 0 C--N 1.347 0.458 0 O-C-N 120.51 -1.368 . . . . 0.0 111.037 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -115.9 134.73 54.68 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.044 -1.035 . . . . 0.0 110.26 170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -141.37 177.68 7.94 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -134.35 144.26 48.15 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.35 -1.469 . . . . 0.0 112.312 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.2 tt -116.0 146.21 20.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 C-N-CA 124.418 1.087 . . . . 0.0 108.499 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -80.65 136.08 36.15 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.989 -1.695 . . . . 0.0 109.969 170.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -59.32 -23.37 62.42 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 116.134 1.902 . . . . 0.0 116.134 -167.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -75.83 -20.6 58.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 120.735 -1.228 . . . . 0.0 113.814 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -93.14 128.43 43.11 Favored Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 120.542 -1.349 . . . . 0.0 109.49 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.52 161.5 42.14 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 121.983 1.789 . . . . 0.0 112.933 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.64 -30.17 66.72 Favored 'General case' 0 C--N 1.344 0.364 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -171.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt85 -46.61 -44.79 18.55 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 126.9 2.08 . . . . 0.0 114.762 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -49.44 76.98 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.573 1.149 . . . . 0.0 111.933 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 tt -63.54 -53.4 52.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.772 0.829 . . . . 0.0 112.105 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -53.63 55.95 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.998 1.319 . . . . 0.0 114.018 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -73.3 -32.23 64.49 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 120.756 -1.215 . . . . 0.0 112.23 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.49 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.479 -1.388 . . . . 0.0 113.197 169.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -58.82 -46.2 88.2 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.84 -1.162 . . . . 0.0 112.2 170.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.2 m -55.5 -49.33 72.85 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.21 -44.71 71.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -79.18 -32.07 44.04 Favored 'General case' 0 C--N 1.345 0.381 0 O-C-N 121.245 -0.909 . . . . 0.0 113.322 -173.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.16 61.32 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.682 -1.261 . . . . 0.0 110.881 166.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.33 42.68 3.4 Favored Glycine 0 C--N 1.348 1.236 0 O-C-N 121.267 -0.896 . . . . 0.0 114.483 164.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.28 -118.84 0.31 Allowed 'General case' 0 C--N 1.344 0.341 0 C-N-CA 124.454 1.102 . . . . 0.0 110.774 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.9 m -173.19 162.02 4.39 Favored 'General case' 0 CA--C 1.504 -0.816 0 O-C-N 119.782 -1.824 . . . . 0.0 106.582 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.8 tpt -77.15 -26.95 53.59 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-O 122.225 1.012 . . . . 0.0 111.942 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -40.42 -68.36 0.18 Allowed 'General case' 0 C--N 1.347 0.462 0 C-N-CA 127.486 2.314 . . . . 0.0 115.387 174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.15 9.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.393 0 O-C-N 120.216 -1.552 . . . . 0.0 114.892 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -117.38 89.91 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 C-N-CA 125.593 1.557 . . . . 0.0 108.866 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -92.51 87.36 5.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 119.392 -2.067 . . . . 0.0 112.459 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -81.98 131.31 35.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 125.539 1.535 . . . . 0.0 113.517 -177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -136.85 140.82 42.67 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.367 -1.458 . . . . 0.0 110.02 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -126.51 133.03 51.25 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.458 -1.401 . . . . 0.0 108.094 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.2 t70 65.73 7.4 4.49 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.974 1.31 . . . . 0.0 112.073 -167.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.42 -15.14 63.83 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 120.135 -1.603 . . . . 0.0 112.511 -168.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -101.96 161.08 24.54 Favored Pre-proline 0 N--CA 1.45 -0.448 0 C-N-CA 125.603 1.561 . . . . 0.0 112.665 -168.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -71.49 156.69 57.79 Favored 'Trans proline' 0 C--N 1.331 -0.367 0 CA-C-N 122.202 1.822 . . . . 0.0 111.494 167.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.2 143.9 28.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 CA-C-O 122.001 0.905 . . . . 0.0 110.533 -170.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.46 111.23 5.85 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 125.341 1.456 . . . . 0.0 113.246 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -65.35 -32.14 73.62 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.124 -1.61 . . . . 0.0 114.202 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -56.69 -44.92 81.98 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.9 159.24 33.0 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 124.15 1.929 . . . . 0.0 115.838 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 p -91.91 159.34 38.21 Favored Pre-proline 0 N--CA 1.451 -0.403 0 C-N-CA 127.123 2.169 . . . . 0.0 107.36 169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -73.26 -4.24 15.07 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 CA-C-N 122.774 2.026 . . . . 0.0 113.236 -171.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -75.02 -31.95 61.48 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.048 0.939 . . . . 0.0 111.798 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 m -54.51 -35.48 63.21 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.302 -1.499 . . . . 0.0 113.624 174.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.1 mt -98.17 1.52 47.52 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 124.678 1.191 . . . . 0.0 112.707 -175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 46.32 60.81 3.05 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 125.743 1.617 . . . . 0.0 114.525 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.77 170.57 11.61 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.01 -1.056 . . . . 0.0 112.894 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -132.61 -90.1 0.41 Allowed 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 124.648 1.179 . . . . 0.0 109.624 -161.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -169.27 171.85 7.66 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 123.481 0.712 . . . . 0.0 109.749 156.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.91 17.38 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 124.43 1.014 . . . . 0.0 111.941 171.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.26 101.64 0.44 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.617 1.967 . . . . 0.0 115.117 -166.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 40.6 p -80.65 103.32 10.42 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 120.922 -1.112 . . . . 0.0 111.745 176.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.2 tt -101.32 120.7 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -90.41 115.95 27.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 123.332 1.539 . . . . 0.0 110.294 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 t -110.41 110.25 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 O-C-N 120.031 -1.668 . . . . 0.0 111.238 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -85.04 91.43 8.09 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 120.576 -1.328 . . . . 0.0 109.29 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -85.6 131.52 34.34 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 121.345 -0.847 . . . . 0.0 110.388 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -147.01 0.14 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -169.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -81.57 155.22 25.81 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 119.324 -2.11 . . . . 0.0 113.342 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . 0.281 29.4 m 67.18 85.42 0.14 Allowed 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 127.002 2.121 . . . . 0.0 112.372 -177.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.45 -165.27 40.16 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 167.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.348 0 O-C-N 120.42 -1.636 . . . . 0.0 111.398 -176.4 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 118.579 -0.724 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.41 -139.51 0.02 OUTLIER 'General case' 0 C--N 1.357 0.919 0 C-N-CA 125.284 1.434 . . . . 0.0 108.05 -167.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.54 146.83 31.1 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 119.434 -2.042 . . . . 0.0 109.59 154.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -81.25 60.63 4.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 122.795 1.284 . . . . 0.0 112.847 -169.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -75.88 -25.74 56.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 124.967 1.307 . . . . 0.0 112.052 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 147.03 24.57 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 120.807 -1.183 . . . . 0.0 111.839 172.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.1 -94.37 2.32 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 121.024 -1.048 . . . . 0.0 112.114 170.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.8 159.69 25.06 Favored Glycine 0 C--N 1.344 0.987 0 O-C-N 121.123 -1.222 . . . . 0.0 110.949 174.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -90.65 73.16 6.76 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-O 122.416 1.103 . . . . 0.0 113.353 -164.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.8 143.36 39.86 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 120.234 -1.541 . . . . 0.0 114.674 -174.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -49.66 140.67 10.83 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 130.066 3.346 . . . . 0.0 118.705 -163.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -151.63 162.48 40.91 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.205 -1.559 . . . . 0.0 115.134 -160.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.2 pt -102.6 166.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 124.509 1.124 . . . . 0.0 109.031 168.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.03 97.03 3.63 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 121.004 -1.06 . . . . 0.0 109.972 -165.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -79.39 121.72 25.5 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 120.882 -1.136 . . . . 0.0 111.073 -172.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -109.24 95.59 5.73 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.075 1.35 . . . . 0.0 107.661 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 t -101.52 114.32 40.43 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.04 -1.037 . . . . 0.0 109.988 -172.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 mp -104.53 103.4 13.08 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.276 -0.89 . . . . 0.0 111.99 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.22 137.34 16.28 Favored Glycine 0 C--N 1.346 1.088 0 O-C-N 119.838 -1.788 . . . . 0.0 113.675 173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.73 -27.96 65.4 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.377 1.471 . . . . 0.0 112.904 175.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.23 22.64 0.21 Allowed 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 127.79 2.436 . . . . 0.0 114.045 172.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 m120 66.53 22.99 10.51 Favored 'General case' 0 C--N 1.354 0.769 0 C-N-CA 126.689 1.996 . . . . 0.0 113.576 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.37 87.31 4.1 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 120.779 -1.201 . . . . 0.0 110.618 176.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -99.32 113.54 34.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 120.916 -1.115 . . . . 0.0 108.988 174.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -127.87 146.16 33.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 O-C-N 120.93 -1.106 . . . . 0.0 111.793 -174.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -118.95 134.62 55.07 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.816 1.246 . . . . 0.0 111.459 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.16 159.25 41.32 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.593 0.757 . . . . 0.0 109.801 171.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -128.9 134.09 48.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.138 -1.601 . . . . 0.0 113.763 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -121.49 148.8 24.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.234 -1.541 . . . . 0.0 109.231 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.37 146.53 40.78 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.077 -1.639 . . . . 0.0 113.212 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -80.27 42.12 0.56 Allowed 'General case' 0 C--N 1.349 0.569 0 N-CA-C 115.608 1.706 . . . . 0.0 115.608 -160.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.1 m-70 -132.77 -43.22 0.9 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.839 1.655 . . . . 0.0 109.719 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.3 m -74.36 125.66 89.66 Favored Pre-proline 0 C--N 1.35 0.59 0 C-N-CA 125.021 1.328 . . . . 0.0 111.432 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.98 160.52 42.9 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 CA-C-N 123.364 2.237 . . . . 0.0 112.496 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.75 -35.42 80.67 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.206 1.403 . . . . 0.0 112.985 -170.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -42.97 -46.77 5.56 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 127.38 2.272 . . . . 0.0 116.484 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -65.38 -37.69 87.75 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.294 -1.503 . . . . 0.0 112.831 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.98 -40.06 83.18 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.938 -1.101 . . . . 0.0 111.208 175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 39.0 mmt -55.47 -50.55 69.59 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.299 1.04 . . . . 0.0 112.85 171.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -56.86 -55.36 35.4 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 121.028 -1.045 . . . . 0.0 112.714 171.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.879 1.272 . . . . 0.0 114.204 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -66.03 -40.74 91.28 Favored 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.857 -1.152 . . . . 0.0 112.902 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.9 m -61.23 -54.69 40.95 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.618 -1.301 . . . . 0.0 112.971 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.38 -42.6 98.97 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.923 1.289 . . . . 0.0 112.788 179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -67.4 -40.67 85.63 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.172 -1.58 . . . . 0.0 113.254 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.06 -45.36 85.69 Favored 'General case' 0 N--CA 1.448 -0.573 0 O-C-N 121.143 -0.973 . . . . 0.0 112.546 172.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.46 34.62 1.41 Allowed Glycine 0 C--N 1.345 1.071 0 C-N-CA 124.404 1.002 . . . . 0.0 112.653 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 pp -139.4 -177.12 4.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 124.434 1.094 . . . . 0.0 109.547 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -140.1 168.0 20.82 Favored 'General case' 0 CA--C 1.509 -0.622 0 O-C-N 120.304 -1.498 . . . . 0.0 110.463 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.5 tpt -66.64 -25.54 66.63 Favored 'General case' 0 C--N 1.345 0.403 0 N-CA-C 116.457 2.021 . . . . 0.0 116.457 -166.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -66.62 -16.17 63.99 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -171.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m -91.79 -0.87 9.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.671 -1.268 . . . . 0.0 112.074 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.6 t -110.98 109.08 27.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 O-C-N 120.612 -1.305 . . . . 0.0 110.938 -170.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.69 96.49 7.96 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 119.668 -1.895 . . . . 0.0 108.982 170.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -88.84 139.86 30.03 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 121.307 -0.871 . . . . 0.0 110.74 175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -134.43 131.52 38.26 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.624 -1.297 . . . . 0.0 111.004 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -104.45 115.28 30.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 58.56 25.45 13.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 123.122 1.439 . . . . 0.0 114.533 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.0 -1.81 86.86 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 120.062 -1.649 . . . . 0.0 114.513 -175.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -118.73 171.06 5.64 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 124.965 1.306 . . . . 0.0 111.095 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.95 168.61 24.37 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 CA-C-N 121.911 1.718 . . . . 0.0 112.377 166.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.85 151.99 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.27 125.86 35.64 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.22 -1.55 . . . . 0.0 111.535 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.82 -23.53 67.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 126.278 1.831 . . . . 0.0 115.112 176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -84.26 -32.22 24.54 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.712 1.205 . . . . 0.0 112.648 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -75.53 162.37 28.36 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 122.73 1.252 . . . . 0.0 112.5 -175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.9 p -100.87 152.62 37.89 Favored Pre-proline 0 C--N 1.349 0.575 0 O-C-N 120.022 -1.674 . . . . 0.0 111.865 -173.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.16 -16.87 31.74 Favored 'Trans proline' 0 CA--C 1.52 -0.179 0 C-N-CA 122.317 2.011 . . . . 0.0 111.563 176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.5 m -76.69 -35.34 57.96 Favored 'General case' 0 CA--C 1.514 -0.436 0 C-N-CA 126.426 1.89 . . . . 0.0 110.431 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.9 m -65.22 -43.39 91.61 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.865 -1.147 . . . . 0.0 111.815 169.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.62 -47.58 39.13 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.312 70.9 mt-10 74.86 66.63 0.08 Allowed 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.274 1.829 . . . . 0.0 114.631 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.2 mmt -115.07 11.07 16.32 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 124.697 1.199 . . . . 0.0 111.402 174.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.281 23.5 tt0 58.32 -108.19 0.4 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.264 1.426 . . . . 0.0 114.147 -168.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.54 135.71 13.03 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 122.345 1.069 . . . . 0.0 110.036 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.79 48.18 0.11 Allowed Glycine 0 CA--C 1.493 -1.291 0 O-C-N 120.205 -1.559 . . . . 0.0 110.057 -176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.64 92.12 4.7 Favored 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 129.568 3.147 . . . . 0.0 111.973 -156.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 p -86.07 129.46 34.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.437 -1.414 . . . . 0.0 113.718 -175.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 tt -145.53 132.46 15.01 Favored 'Isoleucine or valine' 0 C--N 1.348 0.507 0 O-C-N 120.124 -1.61 . . . . 0.0 110.716 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.94 142.68 30.13 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 119.975 -1.703 . . . . 0.0 110.979 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.04 116.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 CA-C-O 122.519 1.152 . . . . 0.0 112.107 -173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.29 96.32 10.21 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.616 -1.303 . . . . 0.0 111.266 174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 129.63 36.87 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.042 1.337 . . . . 0.0 110.213 171.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -80.56 -11.49 59.65 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 76.24 162.19 0.24 Allowed 'General case' 0 C--N 1.351 0.664 0 C-N-CA 126.704 2.002 . . . . 0.0 115.51 176.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.0 m 73.13 94.8 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.919 2.088 . . . . 0.0 112.407 -172.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.87 26.87 0.13 Allowed Glycine 0 C--N 1.35 1.36 0 O-C-N 120.444 -1.41 . . . . 0.0 115.764 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.848 0 O-C-N 120.448 -1.619 . . . . 0.0 111.239 177.024 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 p -70.56 -124.52 0.0 OUTLIER 'General case' 0 C--N 1.346 0.413 0 C-N-CA 126.49 1.916 . . . . 0.0 112.605 169.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.94 -38.16 53.89 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 126.848 2.059 . . . . 0.0 110.493 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -84.73 148.9 26.12 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 124.446 2.07 . . . . 0.0 113.347 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -78.58 81.13 4.93 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 124.787 1.235 . . . . 0.0 109.438 166.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.98 85.41 0.7 Allowed 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.531 -1.356 . . . . 0.0 110.989 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.9 94.97 0.1 OUTLIER Glycine 0 CA--C 1.499 -0.959 0 O-C-N 121.4 -0.813 . . . . 0.0 111.14 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.69 -92.71 1.11 Allowed Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.6 ' HG2' ' H ' ' A' ' 10' ' ' THR 0.272 15.5 tt0 83.72 -161.88 0.01 OUTLIER 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.881 1.673 . . . . 0.0 112.053 174.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.6 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 14.4 t -161.5 174.83 12.85 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 119.695 -1.878 . . . . 0.0 108.898 -175.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . 0.298 2.2 tp10 26.15 53.64 0.04 OUTLIER 'General case' 0 C--N 1.347 0.499 0 C-N-CA 131.568 3.947 . . . . 0.0 118.552 -171.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -116.2 139.54 50.23 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.52 1.528 . . . . 0.0 111.278 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.2 pt -97.38 154.96 3.66 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 O-C-N 121.334 -0.854 . . . . 0.0 110.878 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -101.68 113.06 25.87 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.6 1.16 . . . . 0.0 110.807 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -93.63 114.54 26.89 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 121.289 -0.882 . . . . 0.0 109.723 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.2 111.93 24.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.124 1.369 . . . . 0.0 110.126 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.02 106.15 20.12 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 121.157 -0.964 . . . . 0.0 111.145 -175.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.12 104.46 16.41 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.938 -1.101 . . . . 0.0 110.947 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.76 130.29 9.72 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 120.676 -1.265 . . . . 0.0 114.436 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -55.63 14.64 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 126.12 1.768 . . . . 0.0 112.503 170.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.47 23.25 0.41 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 128.091 2.557 . . . . 0.0 113.352 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m120 75.81 2.0 3.63 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 127.906 2.483 . . . . 0.0 114.789 167.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.63 108.53 16.07 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 121.029 -1.044 . . . . 0.0 111.278 174.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -110.65 133.26 56.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 O-C-N 120.596 -1.315 . . . . 0.0 109.903 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.2 m -133.55 164.53 34.62 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 O-C-N 120.727 -1.233 . . . . 0.0 110.003 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.67 133.74 19.29 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.315 -1.491 . . . . 0.0 110.625 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -124.57 162.53 23.86 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.748 -1.22 . . . . 0.0 111.864 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.04 142.37 51.55 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 121.317 -0.865 . . . . 0.0 110.685 169.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.7 tt -145.26 148.66 17.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 O-C-N 120.888 -1.133 . . . . 0.0 108.688 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.46 141.72 34.97 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.12 -1.612 . . . . 0.0 110.485 171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -56.38 -20.53 19.79 Favored 'General case' 0 C--N 1.349 0.566 0 N-CA-C 116.72 2.118 . . . . 0.0 116.72 -167.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -79.2 -20.76 47.55 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 126.058 1.743 . . . . 0.0 114.619 -176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.2 m -97.25 128.56 34.61 Favored Pre-proline 0 C--N 1.347 0.473 0 O-C-N 120.642 -1.286 . . . . 0.0 108.294 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.06 164.48 35.37 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 CA-C-N 123.092 2.14 . . . . 0.0 112.432 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.91 -41.18 95.78 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.357 1.063 . . . . 0.0 112.875 -165.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -35.36 -46.98 0.4 Allowed 'General case' 0 C--N 1.349 0.554 0 C-N-CA 128.105 2.562 . . . . 0.0 116.032 170.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -38.3 85.31 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 120.012 -1.68 . . . . 0.0 112.784 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tt -72.2 -47.47 50.34 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 121.163 -0.961 . . . . 0.0 111.337 172.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.84 -51.22 70.48 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 124.669 1.188 . . . . 0.0 113.544 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.8 -45.71 93.33 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.205 1.002 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.08 94.16 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.94 -47.07 81.92 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.963 -1.086 . . . . 0.0 113.377 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.77 -42.17 91.16 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.196 -1.565 . . . . 0.0 113.721 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -55.83 -55.35 33.57 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.215 1.406 . . . . 0.0 113.464 170.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -73.52 -33.7 64.89 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.903 -1.123 . . . . 0.0 112.046 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.69 -50.59 42.37 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.143 -1.598 . . . . 0.0 112.966 172.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.95 4.52 22.61 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 121.169 -0.957 . . . . 0.0 113.063 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 129.14 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 O-C-N 120.837 -1.39 . . . . 0.0 110.697 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 m -89.2 127.38 35.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 O-C-N 120.275 -1.516 . . . . 0.0 109.474 -174.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.0 tpt -62.68 -35.1 78.58 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 -162.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -61.83 -29.09 69.94 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -175.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.9 m -84.8 -2.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.348 0.527 0 O-C-N 120.921 -1.112 . . . . 0.0 113.131 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -109.16 121.83 62.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 O-C-N 121.063 -1.023 . . . . 0.0 109.181 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.31 116.63 32.23 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.233 -1.542 . . . . 0.0 110.982 -177.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -125.58 132.39 52.55 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -167.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -135.46 148.41 49.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.493 -1.379 . . . . 0.0 112.451 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -120.74 120.46 35.72 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.037 1.335 . . . . 0.0 108.13 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 54.58 39.8 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 122.704 1.24 . . . . 0.0 113.338 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.5 -7.67 78.08 Favored Glycine 0 C--N 1.351 1.38 0 O-C-N 120.313 -1.492 . . . . 0.0 116.071 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -124.49 157.13 66.24 Favored Pre-proline 0 C--N 1.347 0.497 0 CA-C-N 119.171 1.485 . . . . 0.0 110.927 -175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -70.27 150.66 65.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 CA-C-N 122.963 2.094 . . . . 0.0 111.7 175.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.0 tt -117.18 136.97 52.63 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 CA-C-O 122.523 1.154 . . . . 0.0 110.916 -175.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -98.53 120.71 39.43 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.989 -1.069 . . . . 0.0 109.606 -177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.56 -24.25 63.68 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -166.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -77.23 -29.4 54.1 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.652 -1.28 . . . . 0.0 114.267 -165.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -86.49 176.39 7.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.842 1.306 . . . . 0.0 112.56 -170.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.0 p -98.89 149.25 35.57 Favored Pre-proline 0 C--N 1.347 0.479 0 O-C-N 119.646 -1.909 . . . . 0.0 113.816 -171.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -77.51 1.58 8.65 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.143 1.895 . . . . 0.0 111.961 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.2 p -81.34 -32.6 32.94 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 124.97 1.308 . . . . 0.0 111.372 171.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.2 m -71.17 -41.77 69.93 Favored 'General case' 0 CA--C 1.504 -0.801 0 O-C-N 120.001 -1.687 . . . . 0.0 112.469 174.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -71.03 -12.97 61.82 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.294 69.8 mt-10 29.61 71.09 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 115.844 -163.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 37.8 tpp -92.97 151.25 20.03 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.92 -94.56 0.1 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 120.492 -1.38 . . . . 0.0 111.913 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.92 140.03 34.42 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 158.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.32 59.16 0.07 OUTLIER Glycine 0 CA--C 1.486 -1.774 0 N-CA-C 108.378 -1.889 . . . . 0.0 108.378 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.73 85.14 5.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 122.98 1.372 . . . . 0.0 109.272 -163.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.0 p -86.97 114.7 23.8 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 125.941 1.696 . . . . 0.0 113.999 -172.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -119.65 134.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 O-C-N 121.002 -1.061 . . . . 0.0 110.547 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.13 138.99 31.02 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 120.242 -1.536 . . . . 0.0 108.866 171.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.0 t -125.29 122.47 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 122.819 1.295 . . . . 0.0 109.653 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -106.05 108.77 20.45 Favored 'General case' 0 N--CA 1.44 -0.966 0 O-C-N 120.598 -1.314 . . . . 0.0 108.057 170.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -94.48 152.5 18.53 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 120.65 -1.281 . . . . 0.0 108.724 168.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -76.25 144.34 40.41 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 119.648 -1.907 . . . . 0.0 112.901 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -66.85 114.01 5.36 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.444 -1.41 . . . . 0.0 109.731 166.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.3 m -103.07 -51.57 3.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 O-C-N 121.275 -0.891 . . . . 0.0 109.244 -167.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.1 86.31 0.06 OUTLIER Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.821 0 O-C-N 121.241 -1.153 . . . . 0.0 111.34 -179.376 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t 61.5 31.18 19.0 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 123.31 1.529 . . . . 0.0 111.962 -170.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.48 -167.7 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.063 1 N-CA-C 99.415 -4.291 . . . . 0.0 99.415 -158.723 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -58.8 167.98 1.38 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.36 1.064 . . . . 0.0 112.334 158.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -56.06 -73.38 0.06 Allowed 'General case' 0 C--N 1.349 0.586 0 O-C-N 119.695 -1.878 . . . . 0.0 116.034 -171.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 103.02 163.63 0.01 OUTLIER 'General case' 0 C--N 1.355 0.823 0 C-N-CA 129.909 3.284 . . . . 0.0 110.09 -167.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.21 -70.83 3.08 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 120.567 -1.333 . . . . 0.0 115.46 172.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.93 -85.25 0.07 OUTLIER Glycine 0 C--N 1.345 1.057 0 O-C-N 121.354 -1.086 . . . . 0.0 114.094 -176.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 73.16 -31.85 0.23 Allowed 'General case' 0 C--N 1.349 0.586 0 C-N-CA 126.908 2.083 . . . . 0.0 116.463 -174.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.4 p -70.84 171.33 10.81 Favored 'General case' 0 C--N 1.343 0.29 0 O-C-N 119.859 -1.776 . . . . 0.0 114.475 -177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 35.34 64.69 0.44 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 128.276 2.63 . . . . 0.0 117.769 169.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -119.73 161.45 20.72 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.853 -1.155 . . . . 0.0 112.997 -174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.0 pt -130.68 143.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 124.41 1.084 . . . . 0.0 109.17 175.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -99.74 148.66 24.15 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 120.687 -1.258 . . . . 0.0 113.076 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -119.19 151.68 37.92 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.372 1.069 . . . . 0.0 109.236 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.16 117.91 29.94 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.79 1.236 . . . . 0.0 110.291 -177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -108.6 121.3 61.44 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 O-C-N 120.569 -1.332 . . . . 0.0 110.016 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.02 99.45 9.2 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.124 -0.985 . . . . 0.0 110.903 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.29 132.69 12.95 Favored Glycine 0 C--N 1.349 1.255 0 O-C-N 120.204 -1.56 . . . . 0.0 114.057 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.12 -10.69 60.05 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.767 -1.431 . . . . 0.0 112.697 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -85.71 5.56 31.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.672 2.389 . . . . 0.0 112.174 168.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 80.33 14.06 0.84 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 129.493 3.117 . . . . 0.0 113.376 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.07 76.93 8.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 120.214 -1.554 . . . . 0.0 112.348 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.0 t -86.48 117.3 30.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 O-C-N 120.267 -1.52 . . . . 0.0 110.109 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.44 160.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.968 -1.083 . . . . 0.0 110.256 -168.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -150.84 145.25 25.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.835 -1.79 . . . . 0.0 112.292 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -141.64 165.21 28.1 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.861 0.864 . . . . 0.0 109.678 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -125.81 146.09 49.94 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.75 0.786 . . . . 0.0 111.744 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.3 tt -138.27 156.94 30.95 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 O-C-N 121.286 -0.883 . . . . 0.0 111.071 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.2 146.56 36.94 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.615 -1.303 . . . . 0.0 110.864 170.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -51.19 -45.21 61.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.702 2.001 . . . . 0.0 115.757 -171.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -2.0 58.31 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 125.808 1.643 . . . . 0.0 115.057 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.4 m -87.73 119.0 70.45 Favored Pre-proline 0 C--N 1.344 0.363 0 O-C-N 119.563 -1.961 . . . . 0.0 109.958 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.63 157.72 40.0 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.575 1.955 . . . . 0.0 112.836 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.93 -41.03 97.76 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.58 1.152 . . . . 0.0 112.793 -169.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -42.56 -41.23 2.94 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 128.295 2.638 . . . . 0.0 115.955 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.51 -24.53 62.84 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 120.077 -1.64 . . . . 0.0 112.9 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 tt -86.18 -45.49 11.29 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 124.272 1.029 . . . . 0.0 110.615 172.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.5 mmt -57.4 -48.61 78.64 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 120.51 -1.369 . . . . 0.0 113.882 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.3 -32.85 73.29 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.537 -1.352 . . . . 0.0 111.345 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.59 -32.01 71.6 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.511 -1.368 . . . . 0.0 113.467 175.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -56.09 -53.01 62.13 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.884 -1.135 . . . . 0.0 112.086 172.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.9 m -53.6 -45.34 70.02 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 124.334 1.054 . . . . 0.0 113.701 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.15 -50.56 46.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.028 1.731 . . . . 0.0 113.976 -179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.1 -42.28 56.93 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.982 -1.699 . . . . 0.0 113.16 -177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.61 -31.35 61.98 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.387 -1.446 . . . . 0.0 111.923 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.79 60.07 1.82 Allowed Glycine 0 C--N 1.348 1.199 0 O-C-N 121.248 -0.907 . . . . 0.0 111.735 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.17 163.69 32.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 122.099 0.952 . . . . 0.0 111.284 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -88.45 146.02 25.45 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 120.743 -1.223 . . . . 0.0 108.584 172.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.23 -23.81 64.85 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.355 -1.466 . . . . 0.0 111.604 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -59.81 -27.52 66.66 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.5 m -96.69 -0.11 10.53 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.475 -1.391 . . . . 0.0 112.145 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.13 107.94 24.2 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 C-N-CA 124.972 1.309 . . . . 0.0 108.031 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -123.49 107.29 11.41 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.479 -2.013 . . . . 0.0 111.02 -170.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -109.35 147.88 32.0 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -169.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.45 144.4 50.45 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.85 1.26 . . . . 0.0 109.743 175.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -124.11 115.78 21.7 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 126.416 1.886 . . . . 0.0 108.08 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 59.55 26.81 15.87 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 123.175 1.464 . . . . 0.0 112.826 -178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.5 -25.45 20.78 Favored Glycine 0 C--N 1.349 1.259 0 O-C-N 119.974 -1.704 . . . . 0.0 114.016 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -89.91 159.15 43.55 Favored Pre-proline 0 C--N 1.341 0.238 0 O-C-N 120.603 -1.528 . . . . 0.0 110.22 -177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -71.2 150.4 59.37 Favored 'Trans proline' 0 C--N 1.324 -0.738 0 CA-C-N 123.561 2.307 . . . . 0.0 110.967 160.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.8 tt -107.07 164.38 4.74 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 O-C-N 121.301 -0.875 . . . . 0.0 108.738 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -117.18 153.27 33.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.866 -1.146 . . . . 0.0 108.253 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -106.12 -4.63 20.12 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -163.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -76.09 -36.93 58.71 Favored 'General case' 0 C--N 1.344 0.334 0 O-C-N 119.33 -2.106 . . . . 0.0 115.799 -166.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.52 169.1 16.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 126.187 1.795 . . . . 0.0 114.691 -173.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.7 p -87.76 147.86 42.32 Favored Pre-proline 0 C--N 1.351 0.65 0 O-C-N 120.454 -1.404 . . . . 0.0 108.117 165.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -74.03 -3.04 13.15 Favored 'Trans proline' 0 C--N 1.332 -0.298 0 C-N-CA 121.997 1.798 . . . . 0.0 113.526 -167.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -68.12 -26.36 65.76 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 120.756 -1.215 . . . . 0.0 114.237 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.2 m -76.28 -1.44 26.58 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 120.572 -1.33 . . . . 0.0 113.8 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 34.0 tp -91.03 -24.44 20.06 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.923 -1.111 . . . . 0.0 112.499 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.263 75.2 mt-10 43.98 74.73 0.11 Allowed 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.707 2.403 . . . . 0.0 116.699 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 34.0 tpp -127.25 -6.18 5.98 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.835 -1.165 . . . . 0.0 113.052 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . 0.298 30.3 tt0 57.28 -88.84 0.02 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.272 1.429 . . . . 0.0 114.808 -153.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.26 176.89 11.21 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 120.684 -1.26 . . . . 0.0 110.859 -175.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.07 37.48 15.5 Favored Glycine 0 C--N 1.348 1.229 0 O-C-N 120.938 -1.101 . . . . 0.0 111.688 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.29 129.18 36.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 124.855 1.262 . . . . 0.0 111.137 -174.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 p -109.88 90.76 3.4 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-O 122.604 1.192 . . . . 0.0 113.986 -163.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 tt -101.85 141.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 O-C-N 119.966 -1.708 . . . . 0.0 111.252 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -109.02 150.34 27.91 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 119.962 -1.711 . . . . 0.0 110.605 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.5 p -143.68 130.36 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 122.95 1.357 . . . . 0.0 112.927 -176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -84.0 122.9 29.4 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 119.86 -1.775 . . . . 0.0 109.499 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -127.44 145.26 50.89 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 171.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -77.38 137.99 39.05 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.139 -1.601 . . . . 0.0 114.878 -172.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -74.66 149.6 39.88 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.157 -1.589 . . . . 0.0 111.141 171.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.3 m -137.78 -105.07 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 173.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.89 64.36 0.05 OUTLIER Glycine 0 C--N 1.349 1.271 0 O-C-N 118.843 -2.411 . . . . 0.0 112.804 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.628 0 O-C-N 121.984 -0.715 . . . . 0.0 112.837 179.324 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m 61.39 -91.81 0.03 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 124.268 1.027 . . . . 0.0 110.784 -160.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -83.16 -137.74 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 164.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -81.54 -106.35 0.03 OUTLIER 'General case' 0 C--N 1.348 0.506 0 O-C-N 119.588 -1.945 . . . . 0.0 112.292 -178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tpmt? -95.13 148.52 22.28 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 119.993 -1.692 . . . . 0.0 109.778 -176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -144.08 178.24 8.01 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 171.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.8 -161.58 32.89 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 106.185 -2.766 . . . . 0.0 106.185 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.77 30.03 8.27 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-O 122.644 1.136 . . . . 0.0 110.447 -173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.09 126.28 30.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.73 1.612 . . . . 0.0 111.364 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 m -158.09 -129.48 0.03 OUTLIER 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.05 -1.031 . . . . 0.0 108.963 -172.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -95.0 101.36 13.11 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 119.114 -2.241 . . . . 0.0 113.656 -175.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -147.37 -179.54 6.92 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 120.404 -1.435 . . . . 0.0 110.484 -172.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 pt -127.8 142.89 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 120.76 -1.213 . . . . 0.0 108.328 161.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -92.61 99.81 12.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 165.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.19 133.07 40.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 120.303 -1.498 . . . . 0.0 111.653 -172.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -91.75 112.73 24.77 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.928 -1.107 . . . . 0.0 111.007 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.3 t -110.71 112.2 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 C-N-CA 123.748 0.819 . . . . 0.0 110.667 -170.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -102.39 119.8 39.43 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.198 -0.939 . . . . 0.0 110.732 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.41 147.9 16.93 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 123.108 1.393 . . . . 0.0 114.622 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -71.08 -16.0 62.56 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 125.564 1.546 . . . . 0.0 113.656 -175.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.2 p-10 -92.2 17.08 10.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 126.115 1.766 . . . . 0.0 112.119 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.54 16.19 1.58 Allowed 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.336 2.254 . . . . 0.0 112.352 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.93 139.55 37.03 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 120.227 -1.546 . . . . 0.0 112.563 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.52 111.44 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 168.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.65 169.57 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 O-C-N 121.088 -1.007 . . . . 0.0 108.91 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -157.05 144.35 18.77 Favored 'General case' 0 N--CA 1.442 -0.827 0 O-C-N 120.333 -1.479 . . . . 0.0 109.297 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -140.73 154.66 46.41 Favored 'General case' 0 C--N 1.346 0.426 0 O-C-N 121.303 -0.873 . . . . 0.0 111.325 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -101.94 123.52 45.99 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 121.139 -0.976 . . . . 0.0 112.383 -175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.9 tt -126.48 139.85 50.53 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 124.162 0.985 . . . . 0.0 109.713 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -62.89 144.37 56.76 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.06 -1.65 . . . . 0.0 111.501 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -66.26 -33.63 76.17 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 119.84 -1.788 . . . . 0.0 113.633 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -84.09 0.6 47.73 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 p -101.87 143.7 27.11 Favored Pre-proline 0 C--N 1.355 0.82 0 O-C-N 119.3 -2.125 . . . . 0.0 112.226 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.23 165.68 25.44 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.401 2.068 . . . . 0.0 114.397 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.11 -47.7 34.47 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 124.842 1.257 . . . . 0.0 114.132 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -40.27 -47.74 2.51 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.65 -48.5 72.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.337 1.055 . . . . 0.0 113.193 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.89 -42.66 80.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.84 1.256 . . . . 0.0 111.471 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 95.5 mtp -56.34 -52.69 63.63 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 124.59 1.156 . . . . 0.0 112.829 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -64.01 -46.78 82.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.71 -39.87 78.24 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -71.47 -41.77 68.95 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 121.067 -1.021 . . . . 0.0 112.528 171.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.3 m -59.08 -49.8 76.48 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 120.64 -1.288 . . . . 0.0 113.733 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.02 -33.69 71.03 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -73.74 -48.02 34.91 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.276 -1.515 . . . . 0.0 113.73 173.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.27 -35.46 77.34 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.944 -1.098 . . . . 0.0 112.039 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.09 4.07 58.75 Favored Glycine 0 CA--C 1.495 -1.189 0 O-C-N 121.143 -0.973 . . . . 0.0 112.825 166.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.07 -178.97 6.4 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 123.089 1.423 . . . . 0.0 113.916 -174.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -110.29 114.62 28.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 120.593 -1.317 . . . . 0.0 109.856 -176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.1 ttm -59.86 -39.63 85.85 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 116.99 2.218 . . . . 0.0 116.99 -167.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -58.68 -30.4 67.34 Favored 'General case' 0 C--N 1.349 0.583 0 N-CA-C 116.547 2.055 . . . . 0.0 116.547 -172.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.5 11.04 2.42 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 O-C-N 121.07 -1.019 . . . . 0.0 112.389 179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.7 t -116.08 108.7 25.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.576 1.551 . . . . 0.0 107.766 173.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.2 mmm-85 -103.55 155.94 18.15 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 119.568 -1.957 . . . . 0.0 110.623 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -136.49 120.11 17.17 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.565 -0.709 . . . . 0.0 110.64 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -112.88 151.15 30.8 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.349 -1.469 . . . . 0.0 111.269 170.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -131.43 102.04 5.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.939 -1.101 . . . . 0.0 108.129 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.0 t70 54.69 71.68 0.51 Allowed 'General case' 0 C--N 1.353 0.75 0 C-N-CA 125.67 1.588 . . . . 0.0 113.421 -175.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.27 -57.19 3.68 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 120.407 -1.433 . . . . 0.0 114.402 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -77.19 154.9 82.4 Favored Pre-proline 0 N--CA 1.444 -0.73 0 C-N-CA 125.78 1.632 . . . . 0.0 113.305 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.6 148.87 73.28 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.26 1.973 . . . . 0.0 111.254 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.13 144.12 10.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 122.074 0.94 . . . . 0.0 112.926 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -88.74 140.06 29.84 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 120.541 -1.35 . . . . 0.0 108.875 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -95.61 -21.57 18.15 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 124.811 1.244 . . . . 0.0 111.86 -168.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -84.0 -38.55 20.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 125.123 1.369 . . . . 0.0 113.436 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -73.43 171.74 12.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 123.604 1.669 . . . . 0.0 114.371 -174.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 40.3 p -104.76 156.44 35.96 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 125.491 1.516 . . . . 0.0 109.652 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 -6.88 19.76 Favored 'Trans proline' 0 C--N 1.332 -0.338 0 CA-C-N 122.303 1.858 . . . . 0.0 112.873 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.0 p -72.08 -35.2 69.19 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 120.053 1.297 . . . . 0.0 111.845 164.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.4 m -70.38 -17.47 63.04 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 119.712 -1.867 . . . . 0.0 113.531 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.3 tp -113.56 8.63 17.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.398 1.079 . . . . 0.0 111.198 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.307 44.7 mt-10 23.92 75.42 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 C-N-CA 127.888 2.475 . . . . 0.0 117.554 -164.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.1 mmt -98.89 166.38 11.32 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.422 1.089 . . . . 0.0 111.739 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -102.71 -70.25 0.76 Allowed 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.744 -1.223 . . . . 0.0 114.041 -157.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 166.83 134.49 0.01 OUTLIER 'General case' 0 C--O 1.237 0.419 0 C-N-CA 127.16 2.184 . . . . 0.0 107.665 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.45 22.96 78.09 Favored Glycine 0 C--N 1.35 1.361 0 O-C-N 120.423 -1.423 . . . . 0.0 113.446 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.18 137.38 48.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.584 1.153 . . . . 0.0 111.388 -170.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 46.2 p -93.76 118.8 31.9 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.128 -1.608 . . . . 0.0 114.874 -164.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -111.58 142.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 C-N-CA 123.826 0.85 . . . . 0.0 109.46 170.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.13 148.12 26.64 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.316 -1.49 . . . . 0.0 109.808 173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.8 t -124.05 131.03 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 122.476 1.131 . . . . 0.0 109.419 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -112.81 86.15 2.31 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 120.859 -1.151 . . . . 0.0 109.725 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.05 152.07 19.06 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 120.561 -1.337 . . . . 0.0 111.24 170.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -77.13 73.79 3.71 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 123.079 1.419 . . . . 0.0 113.205 170.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 70.69 -42.16 0.52 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 170.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.5 t -109.43 153.83 23.46 Favored 'General case' 0 C--N 1.342 0.252 0 O-C-N 120.27 -1.518 . . . . 0.0 111.246 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -117.21 18.4 12.23 Favored Glycine 0 C--N 1.345 1.043 0 C-N-CA 124.988 1.28 . . . . 0.0 110.814 165.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.587 0 C-N-CA 125.578 1.561 . . . . 0.0 109.809 -179.258 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t 61.93 -121.69 0.73 Allowed 'General case' 0 C--N 1.354 0.791 0 C-N-CA 125.897 1.679 . . . . 0.0 114.155 177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -78.13 88.17 4.23 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.516 -1.365 . . . . 0.0 109.442 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -131.39 173.42 11.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 123.744 1.735 . . . . 0.0 112.255 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -78.01 7.85 5.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.053 2.541 . . . . 0.0 114.867 -175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -117.49 25.34 10.49 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 120.564 -1.335 . . . . 0.0 111.232 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.34 71.71 0.28 Allowed Glycine 0 CA--C 1.496 -1.109 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 171.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.48 100.34 0.22 Allowed Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -166.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.29 177.14 8.16 Favored 'General case' 0 C--N 1.345 0.387 0 O-C-N 120.59 -1.535 . . . . 0.0 111.899 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m -53.46 -55.91 21.32 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.185 1.394 . . . . 0.0 112.449 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -164.95 154.8 13.4 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 102.023 -3.325 . . . . 0.0 102.023 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CG ' ' HE3' ' A' ' 28' ' ' LYS . 1.5 t-160 -160.17 67.31 0.36 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 120.901 1.682 . . . . 0.0 111.595 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.4 pt -58.96 158.17 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.642 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -105.93 141.09 37.92 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.045 -1.659 . . . . 0.0 110.326 -175.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mp -126.75 153.06 46.03 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 164.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -121.9 135.48 54.88 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 121.234 -0.916 . . . . 0.0 109.276 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.17 112.78 39.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 O-C-N 120.488 -1.382 . . . . 0.0 110.748 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.0 mt -94.97 104.94 16.83 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.592 1.157 . . . . 0.0 109.77 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -90.56 129.8 9.94 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 120.196 -1.565 . . . . 0.0 111.288 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.1 -23.53 67.18 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.272 -1.134 . . . . 0.0 114.013 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.28 44.2 0.07 Allowed 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.29 -1.506 . . . . 0.0 112.585 160.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 66.79 -26.78 0.12 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 128.335 2.654 . . . . 0.0 117.464 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.53 112.49 6.07 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 116.479 2.029 . . . . 0.0 116.479 -173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.2 t -102.61 125.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.652 -1.28 . . . . 0.0 109.599 172.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -135.03 140.5 45.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 O-C-N 120.609 -1.307 . . . . 0.0 109.094 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -106.83 152.86 23.32 Favored 'General case' 0 C--N 1.351 0.658 0 O-C-N 120.548 -1.345 . . . . 0.0 110.525 167.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -147.96 167.02 25.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 121.154 -0.966 . . . . 0.0 109.136 171.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE3' ' CG ' ' A' ' 12' ' ' HIS . 26.8 mtmt -115.11 148.1 39.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.002 -1.061 . . . . 0.0 110.265 173.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.8 tt -140.78 -179.94 2.13 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -115.57 138.41 51.08 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 119.555 -1.965 . . . . 0.0 107.683 174.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.2 -6.31 38.58 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 126.718 2.007 . . . . 0.0 113.692 -165.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.47 -23.79 67.4 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 125.467 1.507 . . . . 0.0 113.626 163.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.72 132.02 50.29 Favored Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 120.298 -1.501 . . . . 0.0 112.491 -166.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -74.15 165.09 32.79 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 CA-C-N 123.324 2.223 . . . . 0.0 112.382 170.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -73.03 -41.19 64.48 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 121.148 -0.97 . . . . 0.0 112.509 -174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 ttt85 -50.58 -45.88 57.53 Favored 'General case' 0 C--N 1.348 0.502 0 N-CA-C 116.026 1.861 . . . . 0.0 116.026 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -55.19 -42.81 73.75 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 120.404 -1.435 . . . . 0.0 113.85 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.84 -45.37 82.46 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.872 -1.143 . . . . 0.0 112.028 175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.7 mtm -63.06 -48.67 77.69 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 120.975 -1.078 . . . . 0.0 113.875 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -61.45 -35.05 76.51 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.437 -0.789 . . . . 0.0 113.065 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -51.64 55.26 Favored 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.537 -1.352 . . . . 0.0 112.823 170.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-30 -60.71 -48.31 82.36 Favored 'General case' 0 C--N 1.344 0.348 0 O-C-N 120.358 -1.464 . . . . 0.0 114.507 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 26.4 p -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.818 -1.177 . . . . 0.0 113.636 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.54 -26.63 60.09 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -69.34 -41.57 76.46 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.089 -2.257 . . . . 0.0 111.866 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.0 38.96 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.007 0.923 . . . . 0.0 111.717 170.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.15 47.24 0.89 Allowed Glycine 0 CA--C 1.499 -0.934 0 C-N-CA 125.293 1.425 . . . . 0.0 111.311 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 pp -137.64 165.76 25.59 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 121.285 -1.126 . . . . 0.0 110.65 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.7 m -89.97 129.84 36.25 Favored 'General case' 0 CA--C 1.506 -0.73 0 O-C-N 120.853 -1.154 . . . . 0.0 111.598 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.7 tpt -57.16 -33.4 67.38 Favored 'General case' 0 C--N 1.347 0.481 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 -177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.93 -24.69 54.45 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.64 -24.37 12.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 O-C-N 119.675 -1.891 . . . . 0.0 111.809 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.49 103.03 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 126.223 1.809 . . . . 0.0 110.448 -170.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.97 102.35 13.35 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 119.394 -2.067 . . . . 0.0 111.817 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -89.02 144.38 26.2 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.629 1.171 . . . . 0.0 112.243 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -137.67 153.72 49.78 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 121.094 -1.004 . . . . 0.0 110.043 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -139.78 136.54 34.2 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.432 -1.418 . . . . 0.0 109.132 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t0 53.01 36.14 21.27 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 123.321 1.534 . . . . 0.0 113.852 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.5 -30.75 6.21 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 120.57 -1.331 . . . . 0.0 114.367 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -112.55 163.22 18.37 Favored Pre-proline 0 CA--C 1.539 0.52 0 O-C-N 121.294 -1.121 . . . . 0.0 112.331 -159.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.1 168.09 25.65 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.879 2.386 . . . . 0.0 111.228 170.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.0 tp -137.02 138.48 45.75 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 CA-C-O 122.617 1.198 . . . . 0.0 111.849 -174.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -79.83 121.63 25.64 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.83 -1.169 . . . . 0.0 110.928 170.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -74.99 -6.41 49.2 Favored 'General case' 0 C--N 1.344 0.354 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -167.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -77.15 -30.52 55.08 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.633 1.173 . . . . 0.0 113.563 -175.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -74.78 168.31 20.11 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.837 1.303 . . . . 0.0 113.147 -172.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 33.2 p -113.37 153.87 45.51 Favored Pre-proline 0 C--O 1.234 0.28 0 O-C-N 120.299 -1.501 . . . . 0.0 111.074 -172.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.52 -8.32 20.46 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 121.836 1.691 . . . . 0.0 112.178 -174.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 p -71.73 -31.11 66.35 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 126.318 1.847 . . . . 0.0 111.907 169.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -51.78 15.74 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.764 1.269 . . . . 0.0 110.67 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.26 -43.98 97.99 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 125.788 1.635 . . . . 0.0 114.175 -176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.26 47.4 mt-10 69.52 46.92 0.7 Allowed 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.018 1.327 . . . . 0.0 111.508 -169.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.9 ptp -76.59 160.7 29.2 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 121.28 -0.887 . . . . 0.0 110.769 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -110.25 164.43 12.66 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 123.246 1.498 . . . . 0.0 111.053 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -71.42 55.14 0.23 Allowed 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 119.383 -2.073 . . . . 0.0 113.962 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.66 17.19 0.05 OUTLIER Glycine 0 CA--C 1.498 -0.973 0 O-C-N 119.8 -1.813 . . . . 0.0 114.697 171.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -85.3 135.14 34.03 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.783 1.292 . . . . 0.0 114.242 -159.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.3 p -84.39 118.83 24.5 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.961 1.304 . . . . 0.0 113.493 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.9 tt -97.58 138.55 22.12 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 O-C-N 120.961 -1.087 . . . . 0.0 109.059 163.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 145.13 26.75 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 120.49 -1.381 . . . . 0.0 109.644 176.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -126.7 107.31 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 122.725 1.25 . . . . 0.0 109.539 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -85.03 95.08 8.98 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 124.716 1.207 . . . . 0.0 110.742 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -80.3 158.67 26.07 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 124.761 1.224 . . . . 0.0 112.547 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -135.67 62.78 1.62 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.765 -1.209 . . . . 0.0 111.529 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 69.56 -72.49 0.1 Allowed 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -72.16 91.56 1.29 Allowed 'General case' 0 C--N 1.346 0.417 0 C-N-CA 125.92 1.688 . . . . 0.0 113.386 -165.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.5 47.71 0.34 Allowed Glycine 0 C--N 1.349 1.274 0 O-C-N 120.322 -1.486 . . . . 0.0 112.934 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.635 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 -178.723 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.9 ttp . . . . . 0 N--CA 1.493 1.725 0 CA-C-O 118.868 -0.587 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 m -124.02 -95.51 0.47 Allowed 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 168.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.63 -105.97 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 124.473 1.109 . . . . 0.0 112.815 177.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.87 -38.44 15.65 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.073 -1.642 . . . . 0.0 109.415 175.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.52 49.73 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 124.029 1.871 . . . . 0.0 113.852 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -101.73 158.7 15.92 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.655 1.182 . . . . 0.0 109.391 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.28 109.81 0.41 Allowed Glycine 0 CA--C 1.489 -1.593 0 O-C-N 120.065 -1.647 . . . . 0.0 110.954 -169.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.8 69.16 0.08 OUTLIER Glycine 0 CA--C 1.494 -1.229 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -146.18 167.19 24.05 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 121.715 -0.873 . . . . 0.0 109.1 -175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -150.57 -61.88 0.19 Allowed 'General case' 0 C--N 1.345 0.407 0 O-C-N 121.255 -0.903 . . . . 0.0 110.84 -178.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.76 159.03 43.01 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 120.631 -1.293 . . . . 0.0 110.317 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -168.94 103.39 0.39 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 125.039 1.335 . . . . 0.0 108.819 -166.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 pt -99.04 152.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 O-C-N 119.651 -1.905 . . . . 0.0 112.843 -164.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -91.43 132.95 35.88 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.16 0.984 . . . . 0.0 112.465 -172.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.1 138.17 49.13 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 125.12 1.368 . . . . 0.0 107.936 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -118.55 117.07 27.99 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.15 -1.594 . . . . 0.0 111.99 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.69 119.63 38.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 O-C-N 120.577 -1.327 . . . . 0.0 109.565 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.6 mt -105.93 100.58 10.12 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.135 0.974 . . . . 0.0 110.411 177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.1 139.28 15.59 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 120.171 -1.58 . . . . 0.0 113.878 -179.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -68.67 -7.7 35.76 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.291 -1.711 . . . . 0.0 113.564 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -78.78 -3.29 43.64 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 119.347 -2.096 . . . . 0.0 112.716 166.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 93.77 2.01 0.07 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 129.85 3.26 . . . . 0.0 111.874 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.27 121.95 25.72 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 119.762 -1.837 . . . . 0.0 112.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.7 t -114.9 109.76 29.59 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.932 -1.105 . . . . 0.0 109.216 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.0 t -126.51 130.29 71.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 O-C-N 120.797 -1.189 . . . . 0.0 110.676 -171.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -97.52 127.69 43.68 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.542 -1.349 . . . . 0.0 112.079 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -116.78 -175.26 2.73 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 125.359 1.464 . . . . 0.0 108.736 175.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -146.15 133.0 20.09 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 119.832 -1.792 . . . . 0.0 111.756 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -117.82 138.22 49.2 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 O-C-N 120.263 -1.523 . . . . 0.0 111.527 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -72.07 109.65 6.01 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 119.289 -2.132 . . . . 0.0 109.34 169.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -72.26 49.74 0.2 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 115.951 1.834 . . . . 0.0 115.951 -168.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -140.2 -48.63 0.45 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.3 2.24 . . . . 0.0 107.043 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -76.88 128.08 82.35 Favored Pre-proline 0 C--N 1.347 0.49 0 CA-C-O 117.089 -1.434 . . . . 0.0 110.468 171.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -74.13 176.25 9.81 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.596 2.197 . . . . 0.0 113.436 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' H ' HD22 ' A' ' 35' ' ' LEU . 2.4 mm? -51.82 -36.24 47.23 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 127.773 2.429 . . . . 0.0 114.73 -169.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 ttt85 -41.7 -47.09 3.94 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.597 1.959 . . . . 0.0 115.543 172.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -62.09 -38.48 89.0 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.683 -1.261 . . . . 0.0 112.706 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.23 -55.88 6.48 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 121.351 -0.843 . . . . 0.0 110.923 174.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 52.3 mtm -67.75 -34.08 76.13 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 115.393 1.627 . . . . 0.0 115.393 -172.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.38 -44.5 71.35 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.025 -1.672 . . . . 0.0 110.413 172.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.71 98.13 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 119.793 -1.817 . . . . 0.0 114.315 178.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.44 8.46 5.1 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 98.3 m -88.02 -70.03 0.66 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 120.616 -1.302 . . . . 0.0 108.905 156.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -61.83 -50.69 71.27 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -170.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -86.0 9.08 18.12 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 120.477 -1.39 . . . . 0.0 112.758 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.97 -48.28 5.48 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 121.095 -1.003 . . . . 0.0 109.339 159.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.52 29.41 1.18 Allowed Glycine 0 C--N 1.349 1.253 0 C-N-CA 125.494 1.521 . . . . 0.0 113.515 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 pp -135.12 -175.45 3.92 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 124.756 1.223 . . . . 0.0 108.762 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.7 m -134.03 164.07 28.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 120.814 -1.179 . . . . 0.0 108.989 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -81.87 -31.95 31.3 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 120.138 -1.601 . . . . 0.0 112.01 -171.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.2 mm-40 -54.51 -20.44 7.77 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.1 m -101.82 -0.4 10.12 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 119.989 -1.694 . . . . 0.0 113.788 178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.5 t -107.14 142.12 20.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.422 0 O-C-N 120.701 -1.249 . . . . 0.0 109.259 -177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.15 137.99 50.62 Favored 'General case' 0 C--N 1.345 0.375 0 O-C-N 119.359 -2.088 . . . . 0.0 107.937 167.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -148.18 151.98 36.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 120.498 -1.376 . . . . 0.0 111.513 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.6 150.8 45.43 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 121.44 -0.787 . . . . 0.0 111.511 177.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -127.81 129.91 47.79 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 170.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 57.94 24.06 10.57 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 123.882 1.801 . . . . 0.0 113.177 -168.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.84 -0.31 82.8 Favored Glycine 0 C--N 1.349 1.251 0 O-C-N 119.467 -2.02 . . . . 0.0 114.775 -173.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -111.8 155.26 43.45 Favored Pre-proline 0 N--CA 1.451 -0.396 0 O-C-N 120.772 -1.428 . . . . 0.0 112.36 -175.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.92 105.01 1.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.512 2.141 . . . . 0.0 111.711 166.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.5 162.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 C-N-CA 125.186 1.394 . . . . 0.0 110.986 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -82.71 158.01 23.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.445 -2.034 . . . . 0.0 112.454 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.06 -32.2 34.13 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 119.831 -1.793 . . . . 0.0 111.356 169.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.57 35.71 1.11 Allowed 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 120.422 -1.424 . . . . 0.0 111.113 168.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.92 170.89 15.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 119.706 -1.871 . . . . 0.0 112.242 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.4 p -116.99 133.14 23.14 Favored Pre-proline 0 C--N 1.344 0.334 0 O-C-N 121.096 -1.002 . . . . 0.0 110.531 -169.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -79.98 20.77 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.944 2.43 . . . . 0.0 113.312 -168.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 t -73.82 -42.78 60.41 Favored 'General case' 0 C--N 1.345 0.38 0 O-C-N 120.637 -1.29 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 m -71.63 -7.04 45.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.561 -1.337 . . . . 0.0 114.07 177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 tp -82.79 -7.77 59.63 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.757 1.223 . . . . 0.0 111.399 175.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 63.99 17.82 10.83 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.17 1.388 . . . . 0.0 114.081 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . 0.375 18.6 ptp 42.86 58.14 3.33 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -161.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.88 -169.95 2.83 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.828 -1.17 . . . . 0.0 110.899 169.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.14 158.35 42.81 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 120.645 -1.284 . . . . 0.0 108.648 162.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.97 27.79 13.2 Favored Glycine 0 C--N 1.345 1.049 0 O-C-N 120.637 -1.289 . . . . 0.0 111.15 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.04 102.69 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 130.311 3.444 . . . . 0.0 114.456 -173.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 p -82.88 100.93 10.67 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.306 -1.496 . . . . 0.0 113.18 -175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 tt -98.46 125.1 51.89 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 122.403 1.097 . . . . 0.0 109.908 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 138.76 31.31 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.056 -1.652 . . . . 0.0 110.599 -176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -126.99 129.32 71.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.067 0.937 . . . . 0.0 113.113 -171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -117.7 161.13 20.18 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 125.78 1.632 . . . . 0.0 108.666 170.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -128.95 171.74 12.03 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-O 123.133 1.444 . . . . 0.0 114.057 -161.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -75.05 168.39 20.07 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.334 1.054 . . . . 0.0 112.482 168.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -76.28 144.26 40.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.262 -1.524 . . . . 0.0 111.681 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -66.18 -42.26 89.15 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.167 -1.583 . . . . 0.0 113.243 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 167.4 -160.31 33.91 Favored Glycine 0 CA--C 1.496 -1.141 0 N-CA-C 107.616 -2.193 . . . . 0.0 107.616 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.729 0 C-N-CA 125.604 1.573 . . . . 0.0 109.736 170.546 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 t -76.98 163.56 26.6 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.274 -0.892 . . . . 0.0 108.988 161.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -80.71 71.16 7.59 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 123.368 1.556 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.96 -69.75 0.63 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 124.778 1.231 . . . . 0.0 108.545 167.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -90.58 -55.52 3.55 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 120.865 -1.147 . . . . 0.0 113.817 -173.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.1 116.06 19.15 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 119.99 -1.694 . . . . 0.0 112.796 -178.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.23 -99.39 0.14 Allowed Glycine 0 CA--C 1.496 -1.122 0 O-C-N 119.978 -1.701 . . . . 0.0 111.714 -173.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 92.76 1.03 Allowed Glycine 0 C--N 1.345 1.063 0 C-N-CA 124.7 1.143 . . . . 0.0 112.328 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -103.93 -100.29 0.31 Allowed 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.345 0.658 . . . . 0.0 110.613 -172.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.388 68.1 p 69.85 -117.15 0.12 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.938 -1.726 . . . . 0.0 113.61 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -95.93 88.56 4.94 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 120.298 -1.501 . . . . 0.0 114.417 -170.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -120.42 163.08 18.44 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.312 -1.493 . . . . 0.0 114.152 -175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.3 pt -129.09 169.52 20.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 124.988 1.315 . . . . 0.0 108.258 161.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -136.02 86.56 2.24 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.164 -0.96 . . . . 0.0 110.994 -164.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -71.9 140.73 49.39 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 122.644 1.211 . . . . 0.0 114.095 -173.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -114.58 103.84 11.41 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 126.671 1.989 . . . . 0.0 107.862 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -104.42 109.4 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 120.975 -1.078 . . . . 0.0 110.123 -170.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.82 100.87 10.59 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.782 -1.199 . . . . 0.0 110.686 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.43 121.39 9.93 Favored Glycine 0 C--N 1.348 1.225 0 O-C-N 120.904 -1.123 . . . . 0.0 111.201 169.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -70.79 -12.1 61.35 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 122.704 1.24 . . . . 0.0 114.086 -173.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -73.33 -21.81 60.46 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 127.253 2.221 . . . . 0.0 112.74 167.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m120 108.9 13.63 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 1 C-N-CA 131.709 4.003 . . . . 0.0 110.39 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.99 74.65 10.09 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.074 -1.641 . . . . 0.0 112.373 172.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.97 109.99 13.18 Favored 'Isoleucine or valine' 0 C--N 1.347 0.49 0 O-C-N 119.644 -1.91 . . . . 0.0 111.217 178.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.8 m -118.11 175.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.345 0.4 0 O-C-N 120.779 -1.201 . . . . 0.0 110.696 -175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.37 159.77 34.21 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 119.816 -1.802 . . . . 0.0 110.155 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -164.29 -171.44 2.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.055 0.542 . . . . 0.0 109.62 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -129.53 153.19 48.27 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.829 -1.169 . . . . 0.0 110.878 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.9 tt -134.35 161.25 40.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -83.65 144.76 29.19 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.315 -1.491 . . . . 0.0 108.34 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -67.95 -24.97 65.23 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 119.572 -1.955 . . . . 0.0 114.057 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.29 -27.61 61.65 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.95 1.3 . . . . 0.0 114.221 176.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 38.8 p -96.15 141.71 23.53 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 119.551 -1.968 . . . . 0.0 112.36 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -79.14 162.08 26.02 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.608 1.539 . . . . 0.0 112.172 -175.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.33 -34.38 78.19 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.778 1.231 . . . . 0.0 113.067 -170.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -50.77 -41.49 56.9 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.48 1.512 . . . . 0.0 114.567 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.72 -31.7 72.67 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.982 1.313 . . . . 0.0 113.038 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.33 -34.63 23.65 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.38 -1.45 . . . . 0.0 111.98 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 38.8 mmt -56.65 -46.45 81.03 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.08 -1.638 . . . . 0.0 113.028 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -67.56 -17.48 64.66 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 173.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.23 -56.1 4.95 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 119.619 -1.926 . . . . 0.0 111.306 168.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -34.86 79.46 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -173.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -55.04 -62.35 1.72 Allowed 'General case' 0 C--N 1.354 0.766 0 O-C-N 121.235 -0.915 . . . . 0.0 112.964 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -72.77 -28.54 62.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.166 1.386 . . . . 0.0 113.234 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.46 -42.54 98.63 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 119.828 -1.795 . . . . 0.0 113.403 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.73 -45.35 52.57 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 124.413 1.085 . . . . 0.0 111.77 171.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.44 41.67 2.51 Favored Glycine 0 C--N 1.345 1.083 0 C-N-CA 125.164 1.364 . . . . 0.0 111.192 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 pp -116.94 -173.95 2.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 121.238 -1.154 . . . . 0.0 110.875 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.0 m -130.67 151.03 51.57 Favored 'General case' 0 CA--C 1.505 -0.754 0 O-C-N 120.329 -1.482 . . . . 0.0 109.828 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 42.7 ttm -68.18 -36.35 79.46 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -166.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.63 4.78 0.97 Allowed 'General case' 0 C--N 1.351 0.661 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.1 m -113.42 -10.12 12.15 Favored 'Isoleucine or valine' 0 C--N 1.348 0.536 0 O-C-N 119.542 -1.974 . . . . 0.0 112.09 166.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -107.91 97.44 5.69 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 C-N-CA 124.344 1.058 . . . . 0.0 109.823 -172.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -114.26 112.4 23.06 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.432 -1.418 . . . . 0.0 112.166 -170.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -86.21 147.2 26.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.999 1.319 . . . . 0.0 113.475 -176.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -139.38 135.26 33.49 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.884 -1.135 . . . . 0.0 109.17 175.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -133.88 128.29 34.31 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 121.159 -0.963 . . . . 0.0 108.461 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 65.88 9.88 6.44 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.637 1.575 . . . . 0.0 113.517 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.88 -11.19 59.02 Favored Glycine 0 C--N 1.347 1.148 0 O-C-N 119.463 -2.023 . . . . 0.0 112.441 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -111.92 168.67 7.29 Favored Pre-proline 0 N--CA 1.451 -0.416 0 O-C-N 121.056 -1.261 . . . . 0.0 111.699 -171.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.36 165.84 31.5 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.975 1.783 . . . . 0.0 110.612 156.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.4 tt -136.58 145.14 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -96.79 139.12 33.31 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 120.397 -1.439 . . . . 0.0 109.623 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -73.71 -6.24 45.61 Favored 'General case' 0 C--N 1.345 0.399 0 N-CA-C 116.752 2.13 . . . . 0.0 116.752 -170.766 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -80.12 -32.58 39.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 125.532 1.533 . . . . 0.0 114.336 -172.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -76.64 128.49 34.8 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.002 -1.061 . . . . 0.0 112.921 -171.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 68.4 p -95.06 154.89 39.52 Favored Pre-proline 0 C--N 1.348 0.513 0 O-C-N 120.444 -1.41 . . . . 0.0 110.373 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.27 -8.1 21.44 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.884 1.723 . . . . 0.0 112.448 172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.9 p -70.83 -51.85 24.1 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.898 1.681 . . . . 0.0 111.004 163.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.4 m -66.85 -35.28 79.68 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.562 -1.337 . . . . 0.0 113.173 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.0 mt -80.98 -8.65 59.82 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 33.96 20.95 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 125.993 1.717 . . . . 0.0 115.522 -177.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.3 mmt -83.89 165.61 18.58 Favored 'General case' 0 C--N 1.344 0.369 0 O-C-N 119.522 -1.986 . . . . 0.0 115.621 -167.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -78.63 -130.85 0.02 OUTLIER 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.9 1.68 . . . . 0.0 113.47 -176.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -162.54 155.96 20.32 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.08 -1.012 . . . . 0.0 110.794 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.68 45.95 1.17 Allowed Glycine 0 C--N 1.349 1.28 0 C-N-CA 125.308 1.432 . . . . 0.0 110.212 177.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.74 103.78 16.44 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 124.817 1.247 . . . . 0.0 113.831 -139.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 37.4 p -86.19 129.61 34.79 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 119.764 -1.835 . . . . 0.0 114.812 -173.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -150.06 147.64 15.97 Favored 'Isoleucine or valine' 0 C--N 1.347 0.459 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -110.13 154.4 23.35 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 119.43 -2.044 . . . . 0.0 112.924 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.69 126.96 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-O 123.451 1.596 . . . . 0.0 111.785 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -91.95 98.85 11.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 120.088 -1.632 . . . . 0.0 109.434 173.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -109.97 157.53 19.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 162.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.51 -167.4 1.56 Allowed 'General case' 0 C--N 1.345 0.404 0 O-C-N 121.028 -1.045 . . . . 0.0 109.516 173.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -56.67 -43.05 80.01 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 120.117 -1.614 . . . . 0.0 114.089 176.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.9 m 68.5 75.34 0.26 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.902 1.281 . . . . 0.0 114.141 164.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.53 -49.02 0.05 OUTLIER Glycine 0 C--N 1.348 1.235 0 O-C-N 120.34 -1.475 . . . . 0.0 115.163 -177.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.676 0 O-C-N 120.975 -1.309 . . . . 0.0 112.433 -175.069 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 119.322 -0.371 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m 53.55 27.14 6.28 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 117.118 2.266 . . . . 0.0 117.118 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 42.68 35.75 0.73 Allowed 'General case' 0 C--N 1.35 0.6 0 C-N-CA 128.397 2.679 . . . . 0.0 117.372 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -62.22 121.74 13.88 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 120.565 -1.335 . . . . 0.0 112.037 177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.3 mtmm 65.1 22.19 12.28 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 125.738 1.615 . . . . 0.0 114.24 -173.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -125.51 -161.85 1.07 Allowed 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.211 -1.555 . . . . 0.0 109.595 168.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.81 163.64 28.87 Favored Glycine 0 CA--C 1.499 -0.918 0 N-CA-C 107.107 -2.397 . . . . 0.0 107.107 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -90.0 65.93 2.85 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 120.843 -1.387 . . . . 0.0 113.318 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -128.31 115.73 18.74 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 120.436 -1.626 . . . . 0.0 114.27 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.7 m -80.73 -81.93 0.12 Allowed 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.429 1.092 . . . . 0.0 111.896 175.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.47 121.2 39.1 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 119.989 -1.694 . . . . 0.0 114.81 -163.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -153.9 -174.6 5.02 Favored 'General case' 0 C--N 1.345 0.383 0 O-C-N 120.098 -1.626 . . . . 0.0 109.637 -177.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 pt -129.98 161.22 40.06 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 CA-C-O 121.867 0.841 . . . . 0.0 109.414 164.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.71 153.41 18.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 126.462 1.905 . . . . 0.0 110.615 169.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.35 144.91 44.87 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 121.227 -0.92 . . . . 0.0 110.938 174.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -108.88 115.66 30.51 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.688 -1.257 . . . . 0.0 110.942 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -109.13 102.63 14.28 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-O 121.95 0.881 . . . . 0.0 109.728 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.37 103.33 15.98 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 120.344 -1.472 . . . . 0.0 111.583 -174.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.34 124.49 7.08 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 120.475 -1.39 . . . . 0.0 114.611 -178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.25 -34.95 24.88 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.96 -5.61 39.78 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 120.367 -1.458 . . . . 0.0 114.795 175.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.293 22.8 m120 98.9 -7.62 0.04 OUTLIER 'General case' 0 C--N 1.349 0.563 0 C-N-CA 129.381 3.072 . . . . 0.0 113.452 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.19 75.61 3.75 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 119.933 -1.729 . . . . 0.0 112.585 170.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.8 t -79.54 127.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 C-N-CA 125.784 1.634 . . . . 0.0 109.716 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.22 153.75 39.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 CA-C-O 122.786 1.279 . . . . 0.0 112.314 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.76 122.78 47.06 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.708 -1.245 . . . . 0.0 109.845 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -107.22 166.3 10.73 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 122.571 1.176 . . . . 0.0 110.157 -178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -130.71 137.87 49.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.9 tt -143.49 140.04 26.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 O-C-N 120.716 -1.24 . . . . 0.0 110.152 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -78.32 139.37 38.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.319 -1.488 . . . . 0.0 109.213 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -62.9 -31.62 72.72 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 116.091 1.886 . . . . 0.0 116.091 -159.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -78.98 -12.03 60.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 40.4 m -84.17 125.95 71.06 Favored Pre-proline 0 C--N 1.344 0.353 0 O-C-N 120.215 -1.553 . . . . 0.0 111.5 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.35 149.83 51.5 Favored 'Trans proline' 0 CA--C 1.515 -0.431 0 CA-C-N 122.818 2.042 . . . . 0.0 111.987 175.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.0 -45.08 83.27 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 124.823 1.249 . . . . 0.0 112.933 -173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -38.83 -48.66 1.56 Allowed 'General case' 0 C--N 1.343 0.31 0 C-N-CA 128.254 2.621 . . . . 0.0 117.186 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -12.2 58.42 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.126 -0.983 . . . . 0.0 112.685 -175.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -91.7 -52.32 4.81 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 120.504 -1.373 . . . . 0.0 110.198 168.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.16 -50.03 75.29 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 125.184 1.394 . . . . 0.0 113.478 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -68.64 -24.57 64.56 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.417 -1.427 . . . . 0.0 113.329 176.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.26 77.74 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.564 -1.335 . . . . 0.0 112.185 170.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -67.19 -35.54 79.85 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.78 -1.825 . . . . 0.0 112.688 167.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.3 m -59.41 -38.6 81.02 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.504 -1.372 . . . . 0.0 113.701 169.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -59.49 -48.84 80.11 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 124.378 1.071 . . . . 0.0 113.357 169.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 87.9 mmt-85 -63.04 -43.93 97.32 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 124.463 1.105 . . . . 0.0 113.487 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.12 -49.76 63.79 Favored 'General case' 0 N--CA 1.447 -0.614 0 O-C-N 120.566 -1.334 . . . . 0.0 112.137 173.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.43 51.49 1.31 Allowed Glycine 0 C--N 1.345 1.075 0 C-N-CA 125.18 1.371 . . . . 0.0 110.851 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 pp -148.54 -178.15 6.17 Favored 'General case' 0 C--N 1.343 0.313 0 O-C-N 121.156 -1.202 . . . . 0.0 112.37 -174.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.8 m -137.37 164.07 29.51 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.877 -1.139 . . . . 0.0 110.433 -176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.46 4.0 12.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.259 1.504 . . . . 0.0 114.068 -178.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.92 -63.55 1.06 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.66 1.984 . . . . 0.0 111.034 162.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.2 -41.4 58.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.551 1.14 . . . . 0.0 112.789 -175.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.33 129.58 52.19 Favored 'Isoleucine or valine' 0 C--N 1.345 0.374 0 O-C-N 121.028 -1.045 . . . . 0.0 109.78 176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -113.08 173.59 6.32 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.22 -1.55 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -150.69 159.44 44.52 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.902 -1.749 . . . . 0.0 112.521 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -139.94 149.54 43.43 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 124.622 1.169 . . . . 0.0 109.191 168.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -113.86 111.48 21.8 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 170.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.87 28.87 16.69 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 123.005 1.383 . . . . 0.0 113.656 178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.44 -16.08 60.8 Favored Glycine 0 C--N 1.357 1.715 0 O-C-N 120.376 -1.452 . . . . 0.0 114.338 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -112.42 162.95 19.09 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 120.651 -1.5 . . . . 0.0 113.274 -163.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.86 108.2 2.04 Favored 'Trans proline' 0 CA--C 1.534 0.516 0 C-N-CA 122.776 2.318 . . . . 0.0 114.372 173.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.5 tt -84.31 157.23 3.61 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 O-C-N 121.191 -0.943 . . . . 0.0 109.517 162.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -106.75 144.66 33.09 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 119.96 -1.713 . . . . 0.0 110.462 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.24 -17.01 63.12 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.385 -2.072 . . . . 0.0 114.635 -175.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -79.6 -11.0 59.89 Favored 'General case' 0 C--N 1.345 0.411 0 O-C-N 119.908 -1.745 . . . . 0.0 113.641 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -68.88 159.7 32.07 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 122.706 1.241 . . . . 0.0 112.796 -175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.37 140.6 19.25 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 119.879 -1.763 . . . . 0.0 109.77 -171.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -74.34 -16.26 22.09 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 CA-C-N 122.051 1.768 . . . . 0.0 112.527 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.1 p -74.32 -17.68 60.81 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 120.307 1.412 . . . . 0.0 112.98 172.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 m -85.36 -13.43 49.51 Favored 'General case' 0 C--N 1.345 0.412 0 O-C-N 120.691 -1.256 . . . . 0.0 111.442 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.08 -54.38 2.54 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.66 1.184 . . . . 0.0 112.648 -176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.268 16.7 mt-10 62.28 69.41 0.62 Allowed 'General case' 0 C--N 1.351 0.648 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.5 mmt -117.73 -122.9 0.29 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 121.061 -1.024 . . . . 0.0 111.314 177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -98.44 -149.6 0.35 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 125.961 1.704 . . . . 0.0 111.196 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -145.32 172.71 12.77 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 119.907 -1.746 . . . . 0.0 110.367 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.49 34.85 11.2 Favored Glycine 0 C--N 1.351 1.381 0 O-C-N 121.061 -1.024 . . . . 0.0 112.933 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -77.57 153.89 32.87 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -163.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -106.11 101.27 10.77 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.24 1.416 . . . . 0.0 114.608 -159.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.5 tt -116.82 126.61 74.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 120.53 -1.356 . . . . 0.0 111.558 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -98.67 133.11 43.46 Favored 'General case' 0 C--N 1.352 0.68 0 O-C-N 119.88 -1.763 . . . . 0.0 110.82 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -121.19 127.37 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-O 123.284 1.516 . . . . 0.0 110.977 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.58 89.68 3.43 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 120.371 -1.456 . . . . 0.0 110.354 -171.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -94.46 142.51 27.35 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 162.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -101.32 -85.37 0.42 Allowed 'General case' 0 C--N 1.347 0.495 0 O-C-N 121.136 -0.977 . . . . 0.0 111.365 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -131.5 141.47 49.77 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.59 -1.319 . . . . 0.0 111.499 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.1 t -140.99 155.3 46.23 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 126.939 2.096 . . . . 0.0 105.353 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 114.61 72.72 0.55 Allowed Glycine 0 C--N 1.346 1.088 0 O-C-N 120.896 -1.127 . . . . 0.0 112.505 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.674 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp . . . . . 0 N--CA 1.495 1.779 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 62.07 -81.93 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.922 1.289 . . . . 0.0 113.576 -167.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.35 71.72 8.35 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.101 1.361 . . . . 0.0 110.367 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 45.72 -132.22 1.0 Allowed 'General case' 0 C--N 1.351 0.662 0 C-N-CA 128.037 2.535 . . . . 0.0 115.972 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -88.13 116.22 26.16 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.044 -1.66 . . . . 0.0 112.08 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -115.01 153.27 30.97 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 105.683 -1.969 . . . . 0.0 105.683 164.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.55 -126.09 2.14 Favored Glycine 0 CA--C 1.499 -0.932 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 -175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.37 -154.33 9.72 Favored Glycine 0 C--N 1.344 1.017 0 O-C-N 121.413 -1.051 . . . . 0.0 112.459 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.265 48.0 mt-10 63.69 90.87 0.08 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.246 1.819 . . . . 0.0 115.593 172.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -165.13 -144.68 0.08 Allowed 'General case' 0 C--N 1.342 0.256 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -69.47 116.03 9.42 Favored 'General case' 0 C--N 1.345 0.402 0 O-C-N 119.147 -2.221 . . . . 0.0 112.477 173.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -164.14 172.65 13.43 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.509 -1.369 . . . . 0.0 107.335 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.1 pt -124.01 148.41 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-O 121.524 0.678 . . . . 0.0 110.305 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -100.82 150.91 22.32 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.941 -1.1 . . . . 0.0 110.018 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mp -128.86 142.45 50.96 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 121.223 -0.923 . . . . 0.0 108.658 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -107.92 138.74 43.64 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.756 1.222 . . . . 0.0 109.776 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.57 122.19 67.21 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.386 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -109.83 120.14 41.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 109.97 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -87.82 144.32 18.78 Favored Glycine 0 C--N 1.344 0.992 0 O-C-N 119.765 -1.834 . . . . 0.0 113.284 175.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -72.6 -28.17 62.62 Favored 'General case' 0 C--N 1.344 0.365 0 O-C-N 120.175 -1.779 . . . . 0.0 110.588 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -26.96 62.94 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.112 2.565 . . . . 0.0 113.772 164.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . 0.251 0.3 OUTLIER 93.5 24.75 0.01 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 129.285 3.034 . . . . 0.0 112.869 173.364 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 151.43 24.62 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.91 -1.119 . . . . 0.0 111.452 163.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.2 t -132.52 117.66 32.15 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 O-C-N 120.525 -1.36 . . . . 0.0 108.882 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -121.16 151.6 24.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.365 0 O-C-N 120.656 -1.277 . . . . 0.0 107.667 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -144.58 143.4 30.78 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 119.622 -1.924 . . . . 0.0 113.125 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -120.11 158.23 27.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.094 0.957 . . . . 0.0 112.46 -171.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -124.08 116.52 22.92 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 125.489 1.516 . . . . 0.0 108.704 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 tt -142.93 145.33 23.06 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 O-C-N 119.756 -1.84 . . . . 0.0 112.432 -174.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -80.09 154.01 28.36 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 119.081 -2.262 . . . . 0.0 112.27 174.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -62.64 -28.92 70.24 Favored 'General case' 0 C--N 1.346 0.451 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -82.63 -7.23 59.66 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.626 -1.296 . . . . 0.0 114.465 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.0 m -98.34 119.54 61.48 Favored Pre-proline 0 C--N 1.346 0.423 0 O-C-N 120.205 -1.56 . . . . 0.0 109.736 -171.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.19 159.92 29.81 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 CA-C-N 123.116 2.148 . . . . 0.0 112.884 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.31 -32.6 62.91 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.433 1.093 . . . . 0.0 112.237 -171.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -47.53 -44.8 26.1 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 126.588 1.955 . . . . 0.0 114.817 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -38.8 86.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.181 -0.949 . . . . 0.0 112.589 178.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.95 -47.7 82.08 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.8 -1.187 . . . . 0.0 111.636 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.4 mmm -55.06 -57.73 10.55 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.344 1.057 . . . . 0.0 113.494 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -63.34 -35.85 81.77 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.661 -1.274 . . . . 0.0 113.714 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.61 87.41 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.425 -1.422 . . . . 0.0 113.593 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -67.77 -35.34 78.52 Favored 'General case' 0 C--N 1.347 0.497 0 O-C-N 120.541 -1.349 . . . . 0.0 113.082 175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.2 m -57.55 -53.58 56.5 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.72 -1.238 . . . . 0.0 113.489 167.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -67.16 -27.78 67.57 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 -75.21 -45.29 41.37 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.121 -1.612 . . . . 0.0 113.702 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.75 -48.49 10.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.65 14.82 39.28 Favored Glycine 0 C--N 1.35 1.323 0 C-N-CA 124.841 1.21 . . . . 0.0 113.937 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.08 -169.45 0.94 Allowed 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.451 1.501 . . . . 0.0 112.712 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.9 m -152.34 156.34 39.41 Favored 'General case' 0 CA--C 1.508 -0.665 0 O-C-N 118.936 -2.353 . . . . 0.0 110.539 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 tpt -70.02 -34.41 73.25 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.779 -1.201 . . . . 0.0 112.683 -176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.07 -9.07 19.37 Favored 'General case' 0 C--N 1.348 0.521 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -108.7 -5.96 10.85 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 O-C-N 120.077 -1.639 . . . . 0.0 111.96 171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.27 103.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 125.141 1.376 . . . . 0.0 108.16 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 103.83 15.78 Favored 'General case' 0 C--N 1.344 0.328 0 O-C-N 118.846 -2.409 . . . . 0.0 108.491 175.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -105.9 138.28 42.35 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.443 1.097 . . . . 0.0 111.432 -171.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 mtm105 -142.8 145.76 33.55 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.807 -1.183 . . . . 0.0 111.455 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -111.64 125.71 54.25 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 170.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 49.83 40.59 20.88 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 122.899 1.333 . . . . 0.0 114.322 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.42 64.37 Favored Glycine 0 C--N 1.35 1.344 0 O-C-N 119.417 -2.052 . . . . 0.0 116.068 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -124.57 162.67 41.26 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 120.73 -1.453 . . . . 0.0 111.836 -164.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.19 162.64 31.27 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.458 2.106 . . . . 0.0 111.595 171.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.4 tt -148.05 154.53 10.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -103.75 151.04 23.5 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 120.773 -1.204 . . . . 0.0 111.362 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.14 -19.3 11.4 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 126.592 1.957 . . . . 0.0 112.42 -170.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.08 -23.52 64.95 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 119.905 -1.747 . . . . 0.0 113.363 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -74.4 172.63 11.57 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 123.255 1.502 . . . . 0.0 112.68 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.1 p -89.52 144.9 32.72 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 126.153 1.781 . . . . 0.0 110.801 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.53 -6.76 19.84 Favored 'Trans proline' 0 C--N 1.336 -0.127 0 CA-C-N 122.892 2.068 . . . . 0.0 113.654 -171.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.7 t -73.92 -25.91 60.24 Favored 'General case' 0 C--N 1.348 0.504 0 O-C-N 121.008 -1.057 . . . . 0.0 112.648 174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -68.11 -18.34 64.61 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 125.938 1.695 . . . . 0.0 114.449 -168.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.03 -19.5 23.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.494 1.518 . . . . 0.0 113.03 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 61.68 29.58 18.18 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 36.5 mmt -77.02 -72.03 0.37 Allowed 'General case' 0 C--N 1.349 0.551 0 O-C-N 119.234 -2.166 . . . . 0.0 113.466 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 146.09 -106.49 0.0 OUTLIER 'General case' 0 C--N 1.357 0.935 0 C-N-CA 129.879 3.271 . . . . 0.0 107.185 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -122.92 167.72 13.22 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.647 -1.283 . . . . 0.0 108.243 160.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.52 65.52 1.56 Allowed Glycine 0 C--N 1.347 1.146 0 O-C-N 120.877 -1.14 . . . . 0.0 113.248 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -71.05 154.8 41.49 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 163.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -140.11 64.92 1.43 Allowed 'General case' 0 CA--C 1.509 -0.609 0 C-N-CA 125.268 1.427 . . . . 0.0 107.518 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.8 tt -80.45 127.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 O-C-N 120.949 -1.095 . . . . 0.0 111.511 -173.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.53 132.3 39.35 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.103 -1.623 . . . . 0.0 111.598 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.4 t -116.56 124.33 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 125.1 1.36 . . . . 0.0 110.877 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.33 104.03 14.52 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 120.419 -1.425 . . . . 0.0 108.252 169.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.82 144.69 31.88 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 120.589 -1.32 . . . . 0.0 111.598 171.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.23 142.8 48.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 120.641 -1.287 . . . . 0.0 111.369 -174.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . 0.285 0.0 OUTLIER 65.71 -141.85 0.19 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.842 1.657 . . . . 0.0 114.281 -176.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.1 t -99.67 151.06 21.64 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 119.944 -1.722 . . . . 0.0 109.153 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -114.85 -144.64 8.51 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 169.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.82 0 C-N-CA 124.96 1.267 . . . . 0.0 110.98 177.107 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -86.62 -92.41 0.1 Allowed 'General case' 0 C--N 1.35 0.587 0 O-C-N 119.919 -1.738 . . . . 0.0 110.547 -167.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.3 -50.17 8.65 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 123.377 1.56 . . . . 0.0 107.009 168.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -80.48 170.73 15.96 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 130.528 3.531 . . . . 0.0 116.662 179.348 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt 48.06 91.16 0.02 OUTLIER 'General case' 0 C--N 1.354 0.79 0 C-N-CA 128.575 2.75 . . . . 0.0 116.94 175.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -175.5 173.84 2.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.49 109.73 1.08 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.561 1.073 . . . . 0.0 115.014 175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.92 -177.75 16.65 Favored Glycine 0 CA--C 1.499 -0.955 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 163.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.447 1.5 pm0 43.62 155.58 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 120.455 3.502 . . . . 0.0 120.455 -175.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.6 m -92.05 -82.0 0.32 Allowed 'General case' 0 N--CA 1.472 0.633 0 O-C-N 118.563 -2.585 . . . . 0.0 117.225 -152.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -75.24 127.0 32.17 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 116.766 2.136 . . . . 0.0 116.766 -153.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -126.19 155.4 41.84 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.525 -1.359 . . . . 0.0 112.571 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.8 pt -113.81 -153.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 124.39 1.076 . . . . 0.0 111.266 -177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.16 83.12 1.56 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 119.737 -1.852 . . . . 0.0 110.883 -165.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.29 126.14 30.46 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 120.92 -1.112 . . . . 0.0 111.164 -172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -111.02 103.95 12.46 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.5 t -97.46 102.56 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.73 94.39 9.73 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.911 -1.118 . . . . 0.0 109.746 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.18 118.17 6.2 Favored Glycine 0 C--N 1.348 1.231 0 O-C-N 120.961 -1.087 . . . . 0.0 112.03 173.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -11.32 60.71 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 120.834 -1.392 . . . . 0.0 112.898 -178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -77.63 0.73 22.12 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 125.927 1.691 . . . . 0.0 112.496 167.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m120 99.51 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 C-N-CA 130.228 3.411 . . . . 0.0 111.278 177.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.32 81.26 8.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 120.441 -1.412 . . . . 0.0 113.4 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.5 t -80.7 118.34 28.26 Favored 'Isoleucine or valine' 0 C--N 1.344 0.349 0 O-C-N 120.264 -1.523 . . . . 0.0 109.708 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.84 162.18 40.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.396 0 O-C-N 120.654 -1.279 . . . . 0.0 108.79 -175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -154.65 152.77 30.36 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 119.614 -1.929 . . . . 0.0 111.527 -173.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -165.09 166.8 18.86 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.784 0.802 . . . . 0.0 109.982 -177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -106.65 122.25 45.97 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.136 -1.602 . . . . 0.0 111.719 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 tt -98.55 150.33 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 O-C-N 120.008 -1.683 . . . . 0.0 109.026 172.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -77.11 136.13 38.61 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.706 -1.246 . . . . 0.0 109.274 170.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -68.54 -18.67 64.41 Favored 'General case' 0 C--N 1.347 0.5 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 -166.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -80.49 -12.31 59.56 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 121.026 -1.047 . . . . 0.0 112.649 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.4 m -91.04 123.12 65.5 Favored Pre-proline 0 C--N 1.346 0.436 0 O-C-N 120.631 -1.293 . . . . 0.0 110.747 -173.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.37 158.6 48.08 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 CA-C-N 122.79 2.032 . . . . 0.0 112.486 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.11 -36.89 72.31 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 123.557 0.743 . . . . 0.0 112.911 -170.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -47.68 -44.91 27.82 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.5 -44.15 95.15 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.877 -1.139 . . . . 0.0 112.901 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.07 -45.99 89.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.734 -1.228 . . . . 0.0 112.215 176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.9 -48.45 81.38 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.903 -1.123 . . . . 0.0 113.381 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -66.15 -42.2 89.35 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.54 -1.35 . . . . 0.0 112.747 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.89 78.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.784 -1.197 . . . . 0.0 113.819 174.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.3 -45.03 77.72 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.646 -1.284 . . . . 0.0 113.327 170.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 99.5 m -53.49 -46.57 70.06 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.581 -1.324 . . . . 0.0 113.147 172.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.93 -54.76 18.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.652 1.581 . . . . 0.0 113.84 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -76.98 -28.79 55.24 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 120.077 -1.64 . . . . 0.0 113.959 -172.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.15 -36.57 30.05 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 119.958 -1.714 . . . . 0.0 111.651 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.8 73.77 1.28 Allowed Glycine 0 C--N 1.348 1.22 0 C-N-CA 124.567 1.08 . . . . 0.0 112.13 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 pp -151.08 -172.0 4.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 124.848 1.259 . . . . 0.0 109.155 172.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -128.01 157.75 39.78 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 121.028 -1.045 . . . . 0.0 109.884 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 29.5 ttm -79.66 -0.38 33.71 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.492 -2.005 . . . . 0.0 113.866 -171.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -71.53 -42.99 67.25 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 119.694 -1.879 . . . . 0.0 113.132 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -86.53 -22.03 7.24 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 O-C-N 120.794 -1.191 . . . . 0.0 112.632 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.18 103.01 14.26 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 C-N-CA 124.596 1.158 . . . . 0.0 109.072 172.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -108.82 132.94 53.52 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.472 -1.392 . . . . 0.0 110.279 175.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -118.31 149.96 40.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.863 -1.148 . . . . 0.0 113.038 -170.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.1 mtm-85 -142.15 161.03 39.05 Favored 'General case' 0 C--N 1.348 0.526 0 C-N-CA 124.582 1.153 . . . . 0.0 108.579 168.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -123.65 125.81 45.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 175.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t70 50.34 41.88 25.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.936 1.294 . . . . 0.0 114.295 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.68 -20.9 44.24 Favored Glycine 0 C--N 1.353 1.496 0 O-C-N 120.292 -1.505 . . . . 0.0 116.343 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -120.14 150.17 50.74 Favored Pre-proline 0 C--N 1.351 0.674 0 CA-C-N 119.566 1.683 . . . . 0.0 113.888 -171.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -70.33 110.33 2.64 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.93 2.42 . . . . 0.0 112.729 177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 tt -85.7 155.03 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 122.278 1.037 . . . . 0.0 113.012 -177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -74.68 141.38 44.56 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.66 -1.275 . . . . 0.0 110.562 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.42 -19.32 19.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 120.516 -1.365 . . . . 0.0 113.279 -172.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -74.48 -27.52 60.61 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.478 -1.389 . . . . 0.0 114.485 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.16 174.22 11.77 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 119.902 -1.749 . . . . 0.0 115.23 -171.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.22 148.58 47.54 Favored Pre-proline 0 C--N 1.346 0.418 0 C-N-CA 126.219 1.808 . . . . 0.0 112.07 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.52 -5.19 16.54 Favored 'Trans proline' 0 N--CA 1.471 0.17 0 C-N-CA 122.961 2.441 . . . . 0.0 113.47 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 p -73.08 -30.94 64.05 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.194 0.998 . . . . 0.0 111.361 163.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -66.26 -35.71 81.11 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.111 -1.618 . . . . 0.0 112.517 -178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.57 6.61 48.37 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 121.249 -0.907 . . . . 0.0 111.72 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . 0.251 36.3 mt-10 41.8 59.77 2.41 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 127.387 2.275 . . . . 0.0 115.851 -176.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.1 mmt -93.08 169.39 10.45 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 -168.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -80.81 -117.66 0.02 OUTLIER 'General case' 0 C--N 1.351 0.634 0 C-N-CA 127.053 2.141 . . . . 0.0 111.712 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -156.38 152.44 27.56 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 125.496 1.518 . . . . 0.0 106.904 166.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.43 56.53 0.26 Allowed Glycine 0 CA--C 1.489 -1.568 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 175.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -97.59 93.16 6.27 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.083 0.944 . . . . 0.0 110.105 -151.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 48.9 p -83.4 99.25 9.94 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -170.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.8 tt -104.47 129.72 56.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 124.419 1.088 . . . . 0.0 108.77 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.98 140.94 29.09 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.679 -1.888 . . . . 0.0 109.077 176.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -119.85 114.72 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-O 122.925 1.345 . . . . 0.0 109.181 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -85.84 112.8 21.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 124.557 1.143 . . . . 0.0 108.441 171.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.19 142.16 47.03 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.282 1.433 . . . . 0.0 108.986 175.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -148.45 168.44 22.67 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 172.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 67.55 23.48 8.9 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 0.0 113.213 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 p -73.54 153.55 40.23 Favored 'General case' 0 C--N 1.343 0.312 0 O-C-N 120.188 -1.57 . . . . 0.0 112.835 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.47 -149.65 22.86 Favored Glycine 0 C--N 1.348 1.227 0 O-C-N 120.803 -1.186 . . . . 0.0 113.078 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.697 0 C-N-CA 125.368 1.461 . . . . 0.0 110.45 179.012 . . . . . . . . 0 0 . 1 stop_ save_