data_1ff7_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 1ff7 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.002 0.43 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 t -139.8 32.48 2.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.583 -0.698 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.03 21.14 4.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.48 -0.763 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 p -139.1 27.11 2.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.318 -0.864 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 m 51.98 65.19 6.61 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.306 -0.871 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.1 -31.79 9.25 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.251 1.132 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.36 160.55 14.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.646 -0.659 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.99 -164.55 1.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.548 -0.72 . . . . 0.0 110.802 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 54.4 m-20 53.77 47.14 24.34 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.594 -0.691 . . . . 0.0 110.979 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.96 63.31 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.94 133.21 31.54 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.4 m -89.74 102.1 14.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.983 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.9 t -89.68 147.74 23.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.773 -0.579 . . . . 0.0 110.545 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.01 135.59 34.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.734 -0.604 . . . . 0.0 110.002 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 119.69 16.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 110.24 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -126.89 -178.76 4.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.593 -0.692 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 148.95 41.05 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 56.55 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.701 -0.625 . . . . 0.0 110.76 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 m -103.4 -159.48 0.72 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.072 -1.018 . . . . 0.0 110.177 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -120.52 -169.93 1.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.544 -0.723 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 2.7 tt -147.02 137.71 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.666 -0.646 . . . . 0.0 110.409 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 m -118.45 118.77 32.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.4 m-85 -94.53 107.71 19.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.694 -0.629 . . . . 0.0 109.533 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 78.4 m -113.58 -170.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.657 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.31 163.14 19.77 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.665 -0.647 . . . . 0.0 110.144 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.73 -15.29 46.96 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 O-C-N 123.291 1.153 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.98 15.32 11.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.682 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -131.46 142.67 50.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -136.91 -168.3 2.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.616 -0.678 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.36 159.14 18.51 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -28.24 67.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.995 . . . . 0.0 110.191 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -138.19 46.54 2.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.604 -0.685 . . . . 0.0 109.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.65 27.53 5.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.472 -0.767 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.87 17.17 10.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.645 -0.659 . . . . 0.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 m -140.64 127.45 20.49 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.408 -0.808 . . . . 0.0 110.25 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 6.6 t60 -84.96 128.71 34.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.597 -0.689 . . . . 0.0 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 10.5 mt-30 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -158.35 57.07 0.46 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.591 -0.693 . . . . 0.0 109.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.18 19.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 110.728 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.07 -76.33 0.58 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.487 -0.758 . . . . 0.0 110.441 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 p -174.65 79.61 0.34 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 0.0 110.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.35 -28.95 11.81 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 O-C-N 123.324 1.171 . . . . 0.0 110.363 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.5 m -65.49 172.59 3.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.541 -0.724 . . . . 0.0 109.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -125.83 177.84 6.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.452 -0.78 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 53.04 29.34 7.88 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.505 -0.747 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.92 29.0 71.23 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.42 170.65 30.6 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -95.0 118.75 32.36 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.572 -0.958 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.97 138.89 31.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.618 -0.676 . . . . 0.0 110.477 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -128.16 122.97 33.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.633 -0.667 . . . . 0.0 109.745 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.39 92.48 5.21 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.619 -0.676 . . . . 0.0 110.176 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.91 -169.14 2.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.545 -0.722 . . . . 0.0 110.215 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.24 146.57 48.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 56.67 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.713 -0.617 . . . . 0.0 110.788 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 p -93.23 -157.48 0.54 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.098 -1.001 . . . . 0.0 110.181 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 44.3 p90 -132.04 -171.09 2.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.738 . . . . 0.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -148.74 122.4 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -95.75 121.15 37.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.592 -0.693 . . . . 0.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -89.79 106.47 18.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.73 . . . . 0.0 109.528 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.1 m -77.39 164.81 25.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.624 -0.672 . . . . 0.0 110.545 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -78.0 169.75 19.45 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.707 -0.621 . . . . 0.0 109.677 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.87 -20.7 58.18 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 O-C-N 123.256 1.135 . . . . 0.0 110.408 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.69 27.5 9.6 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 109.977 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 41.1 m-85 -138.72 160.02 40.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.493 -0.754 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -150.15 -169.81 3.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.716 -0.615 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.65 151.69 17.01 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -60.35 -26.41 66.57 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.971 . . . . 0.0 110.477 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -124.44 28.58 6.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.403 -0.811 . . . . 0.0 110.238 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 55.71 47.84 19.66 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.411 -0.805 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -118.5 25.23 10.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.656 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.6 m -140.38 147.08 39.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.78 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -91.58 136.67 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.62 -0.675 . . . . 0.0 110.043 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.552 -0.718 . . . . 0.0 110.206 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.099 0.476 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.6 t -101.53 26.2 7.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.531 -0.731 . . . . 0.0 110.22 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.94 28.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.378 -0.826 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -114.23 25.28 11.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.555 -0.715 . . . . 0.0 110.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m 51.51 77.72 0.44 Allowed Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.364 -0.835 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.65 -27.87 14.75 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 O-C-N 123.345 1.182 . . . . 0.0 110.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.54 -178.47 0.19 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.526 -0.734 . . . . 0.0 109.66 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -146.56 176.83 9.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.478 -0.764 . . . . 0.0 110.567 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 52.94 33.81 15.43 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.467 -0.77 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.55 28.92 70.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.46 171.8 28.56 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.0 115.82 28.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.938 . . . . 0.0 110.124 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.2 t -89.95 126.09 35.61 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.704 -0.623 . . . . 0.0 110.389 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.61 144.07 47.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.72 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 108.33 21.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.551 -0.718 . . . . 0.0 110.379 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -90.01 -167.36 1.82 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.525 -0.734 . . . . 0.0 109.971 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -67.95 0.66 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.441 -0.787 . . . . 0.0 110.903 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -66.36 -69.24 0.31 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.523 -0.736 . . . . 0.0 110.714 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -118.19 -151.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -112.36 -176.19 2.86 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.442 -0.787 . . . . 0.0 110.072 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -150.4 119.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.606 -0.683 . . . . 0.0 110.691 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.7 m -96.67 118.4 33.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.516 -0.74 . . . . 0.0 110.112 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -89.61 112.53 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.542 -0.724 . . . . 0.0 109.479 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.7 m -89.46 -179.34 5.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 110.425 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 3.3 mt -91.88 169.4 11.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.667 -0.646 . . . . 0.0 109.763 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.76 -14.46 43.92 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.309 1.163 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.35 24.26 12.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.229 -0.919 . . . . 0.0 110.299 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -132.91 165.95 23.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.447 -0.783 . . . . 0.0 110.507 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.11 178.64 8.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.668 . . . . 0.0 110.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.47 163.81 20.85 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -77.51 -23.81 50.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.621 -0.929 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -119.83 26.46 9.31 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.398 -0.814 . . . . 0.0 110.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.5 m 54.03 42.25 31.7 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.362 -0.836 . . . . 0.0 110.512 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.27 -18.89 13.98 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.563 -0.711 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -86.59 149.23 25.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -113.51 112.77 24.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.591 -0.693 . . . . 0.0 110.132 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.2 mp0 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.01 0.433 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 27.1 8.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.479 -0.763 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -27.56 19.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.685 . . . . 0.0 110.47 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -112.22 26.57 10.45 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.511 -0.743 . . . . 0.0 110.532 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 p 46.18 80.04 0.31 Allowed Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.619 -0.676 . . . . 0.0 111.511 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.53 -27.05 16.06 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.31 1.163 . . . . 0.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.0 m -97.58 -178.45 4.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.499 -0.751 . . . . 0.0 110.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.89 -166.25 1.64 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.516 -0.74 . . . . 0.0 110.765 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' CE1' ' A' ' 76' ' ' PHE . 69.1 m-80 54.25 30.02 11.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.482 -0.761 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.33 31.8 70.77 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.23 151.59 45.26 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 m -89.71 104.54 17.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.591 -0.947 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -89.54 118.7 29.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.706 . . . . 0.0 110.429 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -106.45 140.75 38.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.577 -0.702 . . . . 0.0 110.012 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.12 91.32 7.65 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.605 -0.685 . . . . 0.0 110.116 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -89.98 -169.01 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.654 -0.654 . . . . 0.0 110.133 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.06 148.08 46.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.564 -0.71 . . . . 0.0 110.198 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 56.62 -85.94 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.649 -0.657 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -95.27 -159.06 0.69 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.095 -1.003 . . . . 0.0 110.18 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 50.4 p90 -129.06 -170.46 2.28 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.416 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.08 141.84 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.653 -0.654 . . . . 0.0 110.491 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -114.23 109.41 18.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.5 -0.75 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 69.2 m-85 -90.46 99.83 12.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.94 -169.56 1.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.636 -0.665 . . . . 0.0 110.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.96 163.35 35.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.659 -0.651 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.84 -10.08 27.67 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.354 1.186 . . . . 0.0 111.347 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.28 -17.41 29.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.2 -0.938 . . . . 0.0 110.542 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' OD1' ' A' ' 57' ' ' ASN . 30.1 m-85 -97.61 159.36 14.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.333 -0.855 . . . . 0.0 110.302 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 179.18 8.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.542 -0.724 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.73 155.23 14.09 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.11 -38.83 87.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.532 -0.981 . . . . 0.0 110.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -114.81 33.12 5.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.611 -0.681 . . . . 0.0 110.019 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.6 m 53.49 52.79 12.68 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.359 -0.838 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.31 26.01 9.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.535 -0.728 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.2 m -137.29 118.37 14.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.523 -0.735 . . . . 0.0 110.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -85.24 89.89 7.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.493 -0.754 . . . . 0.0 110.252 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.933 0.397 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 32.0 t -103.07 27.17 7.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.516 -0.74 . . . . 0.0 110.081 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.08 -24.61 37.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.531 -0.731 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.73 19.93 10.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.412 -0.805 . . . . 0.0 110.735 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 51.41 71.28 1.56 Allowed Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -73.45 -45.15 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 123.368 1.194 . . . . 0.0 110.457 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -82.78 156.55 23.63 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.641 -0.662 . . . . 0.0 110.122 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -146.5 -155.64 0.64 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.722 . . . . 0.0 110.461 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 54.31 46.04 25.99 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.377 -0.827 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.43 28.49 64.87 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.02 141.49 19.31 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -89.85 140.59 29.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.545 -0.973 . . . . 0.0 109.829 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -118.79 156.9 28.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.524 -0.735 . . . . 0.0 110.557 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 141.73 24.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.668 -0.645 . . . . 0.0 109.853 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.71 140.34 35.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.529 -0.732 . . . . 0.0 110.203 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -144.05 -168.92 2.99 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.586 -0.696 . . . . 0.0 110.094 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.71 148.24 38.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 56.49 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.641 -0.662 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -166.47 1.34 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.981 . . . . 0.0 110.221 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -114.71 -170.4 1.73 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 tt -150.26 137.69 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.649 -0.657 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -120.94 143.04 49.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.553 -0.717 . . . . 0.0 110.632 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -111.64 104.48 12.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.635 -0.666 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 73.6 m -110.16 -171.92 1.93 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.573 -0.704 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.91 162.83 23.84 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.671 -0.643 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.39 -13.62 40.67 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 O-C-N 123.317 1.167 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.97 17.02 9.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.612 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -134.17 154.4 51.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 110.674 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.64 179.84 7.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.772 -0.58 . . . . 0.0 110.255 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.31 154.42 17.43 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -25.75 63.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.506 -0.996 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -128.57 29.1 5.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.7 m 52.91 53.46 12.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.433 -0.792 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.45 -23.09 15.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.662 -0.649 . . . . 0.0 110.908 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -103.18 168.51 9.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.372 -0.83 . . . . 0.0 111.008 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -111.53 160.08 17.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 109.718 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.464 -0.772 . . . . 0.0 110.15 179.753 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.0 t -132.28 43.9 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.522 -0.736 . . . . 0.0 109.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.16 -26.1 36.3 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.55 -0.719 . . . . 0.0 110.495 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -115.79 24.47 11.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.466 -0.771 . . . . 0.0 110.652 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.0 t 51.11 84.85 0.2 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.244 -0.91 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 68' ' ' TYR . 46.7 Cg_endo -73.4 -28.38 12.29 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.417 1.219 . . . . 0.0 110.562 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.83 178.42 0.46 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.523 -0.735 . . . . 0.0 109.725 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.1 173.18 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.524 -0.735 . . . . 0.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 53.0 41.57 32.18 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.438 -0.789 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.79 69.65 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.33 163.81 41.94 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.03 115.17 26.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.969 . . . . 0.0 110.054 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.81 144.49 25.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.586 -0.696 . . . . 0.0 110.385 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.04 124.68 16.85 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.675 -0.64 . . . . 0.0 110.04 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.08 120.13 16.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.654 -0.654 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.8 -172.47 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.687 -0.633 . . . . 0.0 110.186 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -61.23 138.1 58.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.556 -0.715 . . . . 0.0 110.191 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 56.53 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.659 -0.65 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -91.15 -158.12 0.54 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.04 -1.037 . . . . 0.0 110.247 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CE2' ' CG ' ' A' ' 54' ' ' PRO . 48.4 p90 -129.46 -168.64 1.97 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.0 110.376 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -147.08 134.15 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.668 -0.645 . . . . 0.0 110.718 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.9 m -102.88 117.47 34.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.599 -0.688 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -89.89 94.0 9.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.512 -0.743 . . . . 0.0 109.514 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.4 m -71.45 175.56 5.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.65 . . . . 0.0 110.382 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.76 170.51 14.38 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.779 -0.576 . . . . 0.0 109.663 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.96 -21.99 56.15 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 O-C-N 123.196 1.103 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.83 25.92 10.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.417 -0.802 . . . . 0.0 109.991 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 34.9 m-85 -135.47 162.08 33.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.532 -0.73 . . . . 0.0 110.2 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -150.16 175.18 11.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.559 -0.713 . . . . 0.0 110.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.46 154.28 18.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.4 -43.79 97.99 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.609 -0.936 . . . . 0.0 110.089 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -104.92 27.83 7.74 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.672 . . . . 0.0 110.089 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.1 m 55.55 47.34 21.08 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.448 -0.783 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.04 25.28 11.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.592 -0.693 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -133.17 85.89 2.25 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.521 -0.737 . . . . 0.0 110.193 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 t-160 -61.96 119.93 9.8 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.606 -0.684 . . . . 0.0 110.106 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.529 -0.732 . . . . 0.0 110.222 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 120.982 0.42 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.2 t -112.07 32.02 5.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.528 -0.732 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.91 -24.61 30.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.56 -0.713 . . . . 0.0 110.602 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -95.38 19.34 10.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.436 -0.79 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 51.07 72.99 1.06 Allowed Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.254 -0.904 . . . . 0.0 111.002 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.81 -40.62 1.34 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 O-C-N 123.338 1.178 . . . . 0.0 110.401 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.0 m -87.02 172.35 10.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.564 -0.71 . . . . 0.0 110.334 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -157.33 -159.16 0.82 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.556 -0.715 . . . . 0.0 110.296 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 53.53 48.04 22.63 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.415 -0.803 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.75 29.84 71.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.53 133.08 12.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -89.87 104.38 16.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.611 -0.935 . . . . 0.0 110.058 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -89.78 151.82 21.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.557 -0.714 . . . . 0.0 110.584 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.8 149.79 35.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.661 -0.649 . . . . 0.0 109.921 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.92 122.8 28.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.637 -0.664 . . . . 0.0 110.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -109.68 -167.72 1.24 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.574 -0.704 . . . . 0.0 110.081 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.12 -75.19 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.484 -0.76 . . . . 0.0 110.856 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -90.12 -77.12 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.41 -0.806 . . . . 0.0 110.547 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.7 p -83.39 -161.61 0.53 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 110.17 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.94 -171.9 1.95 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.61 -0.681 . . . . 0.0 110.155 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.12 135.87 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.6 m -119.1 120.14 36.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.62 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.6 m-85 -96.01 110.21 22.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.709 -0.619 . . . . 0.0 109.748 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.84 -173.47 2.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.472 -0.767 . . . . 0.0 110.482 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.81 164.2 37.9 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.665 -0.647 . . . . 0.0 110.26 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.44 -15.76 46.1 Favored 'Trans proline' 0 C--N 1.318 -1.06 0 O-C-N 123.384 1.202 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.81 12.9 15.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 0.0 110.679 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.0 m-85 -124.74 148.36 48.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -140.6 172.61 12.47 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.634 -0.666 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.44 171.51 17.21 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -83.12 -28.92 29.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.581 -0.953 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -119.58 29.11 7.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.562 -0.711 . . . . 0.0 110.14 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.7 m 53.1 53.96 11.11 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.505 -0.747 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -107.66 -19.29 13.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.532 -0.73 . . . . 0.0 110.729 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 m -95.89 144.36 26.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 0.0 110.266 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.4 t-160 -114.43 99.36 7.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.54 -0.725 . . . . 0.0 110.183 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.087 0.47 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -130.62 42.5 3.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.539 -0.726 . . . . 0.0 110.009 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.31 -27.3 29.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.615 -0.678 . . . . 0.0 110.507 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.56 21.89 11.9 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.441 -0.787 . . . . 0.0 110.73 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m 50.71 83.05 0.23 Allowed Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.169 -0.957 . . . . 0.0 111.025 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.88 -26.74 15.24 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.375 1.198 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.24 163.47 6.33 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.512 -0.743 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -139.48 177.73 7.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.506 -0.747 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 53.05 46.43 26.74 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.41 -0.806 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.35 31.94 75.53 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.21 149.02 36.78 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 m -89.84 122.81 33.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.91 . . . . 0.0 109.846 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.98 133.81 34.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.572 -0.705 . . . . 0.0 110.572 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.39 124.5 36.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.651 -0.655 . . . . 0.0 109.724 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 89.84 5.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.58 -0.7 . . . . 0.0 110.109 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -90.03 -169.06 2.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.565 -0.709 . . . . 0.0 110.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.65 146.83 51.35 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.509 -0.745 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 56.35 -86.13 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.707 -0.621 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -157.87 0.6 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.169 -0.957 . . . . 0.0 110.135 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -129.33 -170.82 2.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.483 -0.761 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.413 HG22 ' CE2' ' A' ' 71' ' ' PHE . 2.9 tt -148.44 131.09 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.699 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.6 m -97.89 108.96 21.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.567 -0.708 . . . . 0.0 110.209 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE2' HG22 ' A' ' 69' ' ' ILE . 37.1 m-85 -89.81 112.47 23.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.509 -0.745 . . . . 0.0 109.738 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.1 m -123.14 -169.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.557 -0.715 . . . . 0.0 110.617 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.51 163.34 47.56 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.728 -0.608 . . . . 0.0 110.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 -10.25 28.14 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.39 1.205 . . . . 0.0 111.354 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.35 -17.54 28.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.0 110.561 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 36.0 m-85 -101.64 155.51 18.06 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.94 174.59 12.52 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.263 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.57 160.41 13.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -60.82 -45.18 95.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.488 -1.007 . . . . 0.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -108.7 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.598 -0.689 . . . . 0.0 109.958 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.7 m 53.81 54.68 9.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.46 -0.775 . . . . 0.0 110.69 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.42 25.05 10.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.547 -0.721 . . . . 0.0 110.419 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.0 m -135.83 117.52 15.0 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.52 -0.737 . . . . 0.0 110.108 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 t60 -81.68 89.97 6.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.537 -0.727 . . . . 0.0 110.196 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.139 0.495 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.9 t -111.24 31.47 6.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.523 -0.736 . . . . 0.0 109.939 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.46 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.551 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.4 p -91.99 16.6 10.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t 51.04 71.93 1.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.61 -47.95 0.27 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.24 1.126 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.66 160.65 22.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.573 -0.704 . . . . 0.0 110.165 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -147.78 -154.19 0.54 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.483 -0.76 . . . . 0.0 110.525 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 54.5 43.7 29.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.397 -0.814 . . . . 0.0 110.96 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.26 29.14 65.39 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.39 146.51 21.77 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -89.79 144.54 25.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 109.852 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.95 157.71 33.71 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.593 -0.692 . . . . 0.0 110.554 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -150.03 170.89 17.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.63 -0.669 . . . . 0.0 109.855 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.85 127.91 54.14 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.576 -0.703 . . . . 0.0 110.339 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -111.28 -168.2 1.28 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.551 -0.718 . . . . 0.0 110.153 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.21 -77.35 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.7 -76.97 0.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.467 -0.771 . . . . 0.0 110.37 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -87.7 -158.27 0.45 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.083 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -115.77 -170.77 1.85 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.596 -0.69 . . . . 0.0 110.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.11 139.5 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.52 143.48 46.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.532 -0.73 . . . . 0.0 110.727 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -118.37 103.07 9.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.73 -0.606 . . . . 0.0 109.701 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.62 -170.04 1.57 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.493 -0.754 . . . . 0.0 110.467 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.47 164.63 34.39 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.42 -18.11 49.37 Favored 'Trans proline' 0 C--N 1.317 -1.13 0 O-C-N 123.337 1.177 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.97 14.07 13.14 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -127.59 140.53 52.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.206 -0.934 . . . . 0.0 110.243 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -135.39 -177.8 4.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.667 -0.646 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.53 153.88 13.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.89 -31.84 71.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.566 -0.961 . . . . 0.0 110.1 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.93 35.24 4.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.644 -0.66 . . . . 0.0 110.03 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m 52.89 38.51 27.09 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.415 -0.803 . . . . 0.0 110.731 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -108.34 25.16 11.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.72 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.6 m -136.99 91.54 2.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.508 -0.745 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.7 t60 -61.77 116.97 5.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.554 -0.717 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.7 mttt . . . . . 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 110.291 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 39.8 mt-30 . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.992 0.425 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.6 m -113.31 32.43 5.76 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.626 -0.671 . . . . 0.0 110.05 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.37 -44.27 37.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.669 -0.644 . . . . 0.0 110.373 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -100.85 22.97 11.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.562 -0.712 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t 50.91 79.69 0.33 Allowed Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 121.272 -0.892 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.82 -28.55 13.44 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.296 1.156 . . . . 0.0 110.399 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.64 172.3 1.28 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.553 -0.717 . . . . 0.0 109.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -128.38 175.58 8.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.469 -0.769 . . . . 0.0 110.262 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 52.6 35.23 17.55 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.449 -0.782 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.88 30.13 76.27 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.15 156.15 53.55 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -91.33 119.32 31.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.586 -0.949 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.8 t -89.98 127.04 35.96 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.585 -0.697 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -115.39 142.03 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.554 -0.717 . . . . 0.0 110.183 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.47 112.48 21.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.573 -0.704 . . . . 0.0 110.169 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -112.87 -169.16 1.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.608 -0.683 . . . . 0.0 110.214 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 146.31 53.14 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.502 -0.749 . . . . 0.0 110.056 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.96 -85.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.585 -0.697 . . . . 0.0 110.715 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -98.49 -159.43 0.74 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 110.199 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 51.6 p90 -124.47 -168.03 1.74 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.64 -0.662 . . . . 0.0 110.335 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -149.4 146.37 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.642 . . . . 0.0 110.559 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 m -108.63 121.07 44.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.535 -0.728 . . . . 0.0 110.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -89.71 100.68 13.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.92 -178.6 6.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 110.439 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.6 mt -94.24 170.11 8.77 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.711 -0.618 . . . . 0.0 109.807 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.35 -18.8 55.74 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.273 1.144 . . . . 0.0 110.707 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.42 24.15 13.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.198 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.6 m-85 -135.04 168.14 19.66 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.507 -0.745 . . . . 0.0 110.208 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.17 173.41 13.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.63 147.77 13.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -61.09 -41.43 96.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.948 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.89 28.98 7.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.59 -0.694 . . . . 0.0 110.026 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m 55.84 48.47 18.07 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.419 -0.8 . . . . 0.0 110.334 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.69 22.01 15.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.1 m -137.63 103.36 5.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 t-160 -76.48 119.68 20.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.65 -0.656 . . . . 0.0 110.157 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.532 -0.73 . . . . 0.0 110.299 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.172 0.51 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.97 27.37 8.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.505 -0.747 . . . . 0.0 110.191 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.81 18.75 6.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.496 -0.753 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 m -137.07 25.42 3.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.256 -0.903 . . . . 0.0 110.442 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m 51.8 61.26 12.72 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 111.005 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.58 -22.82 20.54 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.191 1.1 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.63 156.72 16.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.329 -0.857 . . . . 0.0 109.812 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.23 169.75 9.97 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.525 -0.734 . . . . 0.0 110.404 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 52.11 44.16 29.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.473 -0.767 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.95 75.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.63 150.26 51.82 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -90.08 131.77 35.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.588 -0.948 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 t -89.86 142.81 27.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.666 -0.646 . . . . 0.0 109.671 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -145.68 134.72 22.67 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -81.31 143.68 32.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.594 -0.692 . . . . 0.0 110.478 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -150.05 -169.07 3.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.98 160.26 27.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.583 -0.698 . . . . 0.0 110.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 56.89 -85.55 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.632 -0.667 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.2 p -112.0 -157.58 0.62 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.098 -1.001 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.12 -174.55 2.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.52 -0.737 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 139.01 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.762 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 m -109.28 122.24 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.628 -0.67 . . . . 0.0 110.217 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 22.3 m-85 -89.66 94.16 9.74 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 109.687 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.15 179.31 0.57 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.625 -0.672 . . . . 0.0 110.304 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -85.0 169.96 14.85 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.673 -0.642 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.23 -20.6 55.79 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.212 1.111 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.16 24.87 12.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.451 -0.781 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -135.2 164.18 28.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -150.17 175.83 11.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.535 -0.728 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.68 152.22 19.02 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -61.41 -44.02 97.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.654 -0.909 . . . . 0.0 110.042 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -104.3 27.8 7.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.672 -0.643 . . . . 0.0 109.912 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.2 m 55.66 46.81 21.94 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.471 -0.768 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.71 23.4 14.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.71 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -134.69 111.3 9.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.445 -0.784 . . . . 0.0 110.171 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -81.57 116.8 21.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.566 -0.709 . . . . 0.0 110.112 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 0.0 110.202 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mp0 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.193 0.521 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -118.5 37.25 4.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.577 -0.702 . . . . 0.0 109.682 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.44 -17.12 54.93 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.726 -0.609 . . . . 0.0 111.032 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -111.05 -77.34 0.59 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.29 -0.881 . . . . 0.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t 178.0 68.58 0.1 Allowed Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.298 -0.876 . . . . 0.0 110.356 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.38 -25.34 15.52 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 O-C-N 123.192 1.101 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 66.8 m -60.26 155.86 16.75 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.493 -0.754 . . . . 0.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 173.23 8.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.544 -0.722 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.02 41.21 32.15 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.468 -0.77 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.91 29.82 73.55 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.52 52.93 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.8 m -90.84 133.17 35.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.551 -0.97 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.77 142.57 27.56 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.6 -0.688 . . . . 0.0 109.948 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -147.62 129.44 15.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.762 -0.586 . . . . 0.0 109.48 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.46 146.52 46.84 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.557 -0.715 . . . . 0.0 110.347 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -145.38 -169.02 3.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.567 -0.708 . . . . 0.0 110.013 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.44 115.74 4.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.504 -0.748 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 56.54 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.677 -0.64 . . . . 0.0 110.746 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -62.33 -157.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.977 . . . . 0.0 110.215 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' A' ' 68' ' ' TYR . 26.7 p90 -141.15 -173.94 3.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.467 -0.771 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.16 141.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.571 -0.706 . . . . 0.0 110.669 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.2 m -109.99 117.19 33.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.576 -0.702 . . . . 0.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.4 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 42.4 m-85 -89.9 121.07 31.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.449 -0.782 . . . . 0.0 109.908 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.2 m -130.02 -167.78 1.86 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.468 -0.77 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -79.89 162.13 63.51 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.693 -0.63 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.87 -17.16 51.59 Favored 'Trans proline' 0 C--N 1.316 -1.147 0 O-C-N 123.292 1.154 . . . . 0.0 110.73 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 17.48 10.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 23.5 m-85 -125.06 151.63 45.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.264 -0.897 . . . . 0.0 110.488 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.02 178.43 8.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.61 -0.681 . . . . 0.0 110.074 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.85 156.84 11.05 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -61.06 -28.12 68.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.977 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -131.15 38.13 3.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.568 -0.708 . . . . 0.0 110.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.7 m 53.15 43.55 31.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.408 -0.807 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.24 23.77 13.65 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.566 -0.709 . . . . 0.0 110.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.2 m -144.34 110.55 5.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.47 -0.769 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 72.7 m80 -68.43 168.94 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.548 -0.72 . . . . 0.0 109.813 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.72 . . . . 0.0 110.239 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.083 0.468 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -138.86 29.36 2.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.592 -0.692 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.86 20.87 4.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.55 -0.719 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 p -132.73 25.62 4.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 t 51.58 57.36 16.53 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.348 -0.845 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.64 -28.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.284 1.15 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.0 m -104.86 171.33 7.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.161 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.28 -158.76 0.82 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.99 43.34 30.95 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.401 -0.812 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.95 28.68 66.49 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.63 135.21 15.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.81 111.12 22.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.961 . . . . 0.0 110.033 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.3 t -89.82 156.02 18.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.592 -0.692 . . . . 0.0 110.499 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.66 133.79 17.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.645 -0.659 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.33 122.63 19.95 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.507 -0.746 . . . . 0.0 110.214 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -126.37 -169.29 1.99 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.602 -0.686 . . . . 0.0 110.178 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.57 141.76 56.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.213 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 56.38 -86.18 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.692 -0.63 . . . . 0.0 110.728 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.4 m -94.61 -159.09 0.68 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 110.068 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -124.97 -169.94 2.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -145.25 143.72 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.694 -0.629 . . . . 0.0 110.415 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m -129.78 122.82 29.57 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.598 -0.689 . . . . 0.0 110.761 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.99 94.44 9.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.636 -0.665 . . . . 0.0 109.432 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.93 176.4 1.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.58 -0.7 . . . . 0.0 110.18 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.36 169.14 17.71 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.737 -0.602 . . . . 0.0 109.962 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.63 -24.0 48.68 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.306 1.161 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.46 23.99 11.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.466 -0.771 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 50.6 m-85 -136.97 163.97 29.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.486 -0.759 . . . . 0.0 110.27 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -150.05 179.61 7.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.547 -0.721 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.62 150.63 17.81 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.44 -40.75 95.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.55 -0.971 . . . . 0.0 110.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -105.37 27.3 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.585 -0.697 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.97 49.04 19.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.444 -0.785 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.41 24.96 10.97 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.478 -0.764 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -133.39 119.03 19.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.473 -0.767 . . . . 0.0 110.296 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.4 t60 -84.22 110.61 18.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.645 -0.659 . . . . 0.0 110.192 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.59 -0.694 . . . . 0.0 110.137 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.979 0.418 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -142.95 48.81 1.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.593 -0.692 . . . . 0.0 110.055 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.77 -44.48 11.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 110.239 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -109.05 28.19 8.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.614 -0.678 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t 52.3 94.55 0.05 OUTLIER Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.372 -0.83 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.9 -33.05 8.27 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.478 1.252 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -89.69 166.39 13.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.591 -0.693 . . . . 0.0 110.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -159.1 0.98 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.542 -0.724 . . . . 0.0 110.488 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 98.2 m-20 53.31 53.22 12.1 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.403 -0.811 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.1 26.12 65.36 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.22 132.87 11.52 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.3 m -89.93 116.71 28.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.931 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -89.9 149.89 22.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.738 -0.601 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.28 122.69 9.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.68 -0.637 . . . . 0.0 109.943 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -71.03 122.92 20.92 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.487 -0.758 . . . . 0.0 110.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -122.37 -169.32 1.88 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 134.43 54.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.688 -0.633 . . . . 0.0 110.229 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 56.31 -86.38 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.718 -0.614 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.1 p -84.12 -158.0 0.3 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.947 . . . . 0.0 110.119 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -132.98 -170.6 2.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.12 140.85 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.616 -0.677 . . . . 0.0 110.416 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 m -119.73 128.72 54.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 110.385 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.59 113.24 25.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.622 -0.674 . . . . 0.0 109.735 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.0 m -123.64 179.35 4.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.714 . . . . 0.0 110.407 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.72 164.02 44.1 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.696 -0.628 . . . . 0.0 110.153 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.1 -10.72 29.77 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 O-C-N 123.403 1.212 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.44 30.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.229 -0.919 . . . . 0.0 110.663 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.1 m-85 -97.82 159.91 14.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.245 -0.909 . . . . 0.0 110.266 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.0 179.82 7.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.547 -0.721 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.81 152.22 18.83 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.73 -37.36 81.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.48 -1.012 . . . . 0.0 110.124 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -113.19 32.26 5.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 110.003 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.3 m 53.03 42.07 32.21 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.427 -0.795 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -107.51 24.92 12.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 m -139.66 101.5 4.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.5 t-160 -76.25 90.33 3.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.595 -0.691 . . . . 0.0 110.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.564 -0.71 . . . . 0.0 110.161 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.039 0.447 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 t -101.47 26.86 6.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.494 -0.754 . . . . 0.0 110.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.34 65.86 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.568 -0.707 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -130.81 23.37 4.99 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.494 -0.754 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t 51.1 80.76 0.28 Allowed Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.59 -28.33 14.43 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.386 1.203 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.7 m -63.95 154.75 33.03 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.522 -0.737 . . . . 0.0 109.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -125.89 174.06 8.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.497 -0.752 . . . . 0.0 110.465 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 52.56 49.05 21.23 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.783 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.34 30.13 73.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.09 140.5 27.69 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -90.44 125.33 35.53 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.606 -0.938 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.01 134.28 34.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -126.1 118.16 24.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 109.791 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.91 112.86 5.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.615 -0.678 . . . . 0.0 110.236 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -121.43 -175.44 3.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.549 -0.72 . . . . 0.0 110.18 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.05 148.37 40.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.594 -0.691 . . . . 0.0 110.191 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 56.63 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.789 -0.569 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -104.95 -160.45 0.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.126 -0.984 . . . . 0.0 110.075 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -119.3 -168.97 1.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.346 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.409 HG22 ' CE2' ' A' ' 71' ' ' PHE . 2.9 tt -147.47 126.33 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.406 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.2 m -89.89 111.54 22.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.569 -0.707 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CE2' HG22 ' A' ' 69' ' ' ILE . 29.5 m-85 -89.94 98.62 11.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.717 . . . . 0.0 109.701 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -109.59 -169.03 1.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.587 -0.696 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.53 163.17 55.56 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.734 -0.604 . . . . 0.0 110.117 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.11 -17.43 50.71 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.331 1.174 . . . . 0.0 110.819 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.01 13.88 13.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 37.9 m-85 -126.97 151.81 48.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.159 -0.963 . . . . 0.0 110.276 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.95 177.67 9.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.76 161.4 14.22 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -61.14 -38.68 87.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.531 -0.982 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -120.26 36.25 4.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 110.055 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.8 m 53.45 51.04 16.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.553 -0.717 . . . . 0.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.66 26.93 9.36 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.41 95.26 2.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.538 -0.726 . . . . 0.0 110.194 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 t60 -61.49 115.09 3.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.538 -0.726 . . . . 0.0 110.12 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.563 -0.71 . . . . 0.0 110.134 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.001 0.429 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -65.09 -27.95 69.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.473 -0.767 . . . . 0.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.53 -23.72 58.9 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.538 -0.726 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -89.69 -18.22 26.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.411 -0.806 . . . . 0.0 110.747 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m 54.34 57.54 12.37 Favored Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.132 -0.98 . . . . 0.0 110.519 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.61 -26.9 15.96 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.298 1.157 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.47 171.41 11.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.479 -0.763 . . . . 0.0 110.228 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.41 -165.8 1.62 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.507 -0.746 . . . . 0.0 110.707 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 52.74 24.3 3.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.5 -0.75 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.14 33.03 78.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.65 156.34 39.73 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -89.84 103.44 16.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.561 -0.964 . . . . 0.0 110.166 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.06 139.77 30.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.598 -0.689 . . . . 0.0 110.79 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 131.35 52.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.649 -0.657 . . . . 0.0 109.737 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.93 111.29 4.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 0.0 110.338 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -115.0 -171.25 1.91 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.57 -0.706 . . . . 0.0 109.983 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.99 131.73 51.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.78 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.719 -0.613 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -83.57 -156.71 0.21 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.16 -0.962 . . . . 0.0 110.319 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.49 -169.27 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.575 -0.703 . . . . 0.0 110.593 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.91 130.48 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.707 -0.621 . . . . 0.0 110.087 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 m -115.06 131.1 57.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.441 -0.787 . . . . 0.0 111.25 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.51 105.67 17.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.96 -169.24 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.565 -0.709 . . . . 0.0 110.366 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -103.35 169.67 7.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.818 -0.551 . . . . 0.0 110.06 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.05 -22.42 47.72 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.339 1.178 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.04 23.73 13.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 0.0 110.294 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.2 m-85 -132.63 170.09 15.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.464 -0.772 . . . . 0.0 110.426 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -150.27 174.27 13.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.651 -0.656 . . . . 0.0 110.208 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.85 152.7 19.15 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -70.49 -35.54 73.31 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.582 -0.952 . . . . 0.0 110.098 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -105.18 25.25 10.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.68 -0.638 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.32 57.88 5.79 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.354 -0.841 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -132.41 23.26 4.4 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.385 -0.822 . . . . 0.0 110.667 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 m -133.26 97.31 3.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.262 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 t60 -60.83 121.72 13.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.483 -0.761 . . . . 0.0 110.095 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.507 -0.746 . . . . 0.0 110.273 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.208 0.528 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.5 t -66.82 -20.53 65.95 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.576 -0.703 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.94 49.66 1.82 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.384 -0.822 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.7 m -150.27 21.37 0.85 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.529 -0.732 . . . . 0.0 110.586 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 12.7 p 48.91 51.25 10.56 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.421 -0.799 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 53' ' ' SER . 49.4 Cg_endo -74.62 -48.8 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.055 0 O-C-N 123.192 1.101 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.8 m -82.86 162.6 21.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -138.31 -161.72 1.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.465 -0.772 . . . . 0.0 110.661 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 62.3 m-80 53.29 46.36 26.59 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.629 -0.669 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.08 27.83 63.04 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.86 136.39 27.34 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -89.74 103.72 16.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.515 -0.991 . . . . 0.0 109.86 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.53 150.7 22.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.643 -0.661 . . . . 0.0 110.422 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.52 138.47 34.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.736 -0.603 . . . . 0.0 109.75 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -81.79 119.68 24.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.72 . . . . 0.0 110.38 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.59 -166.05 1.53 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.686 -0.634 . . . . 0.0 110.09 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.4 155.34 34.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.169 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 56.51 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.671 -0.643 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 m -106.03 -157.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 110.346 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -120.2 -170.4 1.96 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -147.35 140.14 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.415 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 m -126.05 120.09 29.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.621 -0.674 . . . . 0.0 110.637 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 95.7 m-85 -97.39 105.11 17.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.597 -0.689 . . . . 0.0 109.433 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.1 m -111.5 -170.79 1.71 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.575 -0.703 . . . . 0.0 110.595 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.64 162.93 40.55 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.47 -16.84 52.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.33 1.174 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.45 18.64 9.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 31.1 m-85 -132.41 135.96 46.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.358 -0.839 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -135.86 -168.54 2.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.656 -0.653 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.9 156.22 20.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -59.44 -26.17 64.97 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.467 -1.019 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -132.54 40.3 3.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.517 -0.739 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 45.7 m 50.68 31.26 5.63 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.279 -0.888 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -95.21 18.41 12.38 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.573 -0.704 . . . . 0.0 110.93 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.95 142.04 36.4 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.287 -0.883 . . . . 0.0 110.723 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 68.9 m80 -94.08 121.53 35.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.677 -0.64 . . . . 0.0 109.917 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.388 -0.82 . . . . 0.0 110.054 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.098 0.475 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.17 -16.91 13.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.699 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.5 -19.97 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.241 -0.912 . . . . 0.0 110.997 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -89.54 13.49 13.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.272 -0.892 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m 50.47 55.12 16.46 Favored Pre-proline 0 N--CA 1.502 2.145 0 O-C-N 121.071 -1.018 . . . . 0.0 111.063 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.07 -27.66 13.72 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.293 1.154 . . . . 0.0 110.484 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.9 m -87.16 172.2 10.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.521 -0.737 . . . . 0.0 110.055 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -165.47 2.11 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 111.068 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 53.41 24.35 3.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.678 -0.639 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 28.94 64.69 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.25 162.99 27.23 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.62 106.31 18.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.566 -0.961 . . . . 0.0 109.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.61 155.83 18.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.646 -0.659 . . . . 0.0 110.687 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -150.01 139.0 21.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.735 -0.603 . . . . 0.0 109.845 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.41 134.55 37.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.0 110.094 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.39 -169.18 2.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.648 -0.658 . . . . 0.0 110.168 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 153.16 40.48 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 110.217 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 56.45 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.673 -0.642 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -107.65 -160.8 0.75 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 110.222 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -114.5 -169.89 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.597 -0.69 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -150.11 124.93 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.706 -0.621 . . . . 0.0 110.413 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.7 m -116.63 126.46 53.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.549 -0.72 . . . . 0.0 110.81 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.87 105.37 17.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.653 -0.654 . . . . 0.0 109.253 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.1 m -70.43 172.6 8.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.544 -0.723 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -84.65 168.83 18.9 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.63 -24.21 48.44 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 O-C-N 123.3 1.158 . . . . 0.0 110.478 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.63 23.98 11.18 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.148 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.7 m-85 -135.66 166.27 23.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.399 -0.813 . . . . 0.0 110.276 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -150.09 178.97 8.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.582 -0.698 . . . . 0.0 110.223 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.23 147.48 16.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -61.43 -38.89 88.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.571 -0.958 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -103.56 25.73 9.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.583 -0.698 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.98 48.57 22.11 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.431 -0.793 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -114.45 22.25 13.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.466 -0.771 . . . . 0.0 110.661 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -125.45 149.5 48.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.368 -0.832 . . . . 0.0 110.17 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -115.3 86.26 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.603 -0.686 . . . . 0.0 110.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm . . . . . 0 N--CA 1.495 1.781 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.106 0.479 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 t -108.74 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.528 -0.732 . . . . 0.0 110.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.04 -25.78 34.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.718 . . . . 0.0 110.509 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -94.13 18.05 11.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.505 -0.747 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.0 m 50.96 67.22 4.52 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.173 -0.954 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CB ' ' CZ ' ' A' ' 68' ' ' TYR . 46.8 Cg_endo -73.12 -43.23 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.271 1.143 . . . . 0.0 110.448 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.0 m -68.43 132.61 47.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.616 -0.677 . . . . 0.0 109.685 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -132.18 -170.39 2.41 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.455 -0.778 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 53.67 45.79 27.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.52 -0.737 . . . . 0.0 110.974 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.07 28.28 66.19 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.97 150.82 22.49 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -89.92 156.51 18.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.947 . . . . 0.0 109.953 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.96 143.72 49.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.507 -0.745 . . . . 0.0 110.613 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -138.64 129.61 26.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.749 -0.595 . . . . 0.0 109.915 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.86 123.61 26.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.373 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -128.3 -178.65 4.64 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.614 -0.679 . . . . 0.0 110.09 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.43 153.81 26.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.704 . . . . 0.0 110.085 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 55.88 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.693 -0.63 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -107.46 -158.64 0.66 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.122 -0.987 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CZ ' ' CB ' ' A' ' 54' ' ' PRO . 50.8 p90 -118.8 -169.86 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.601 -0.687 . . . . 0.0 110.276 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tt -149.84 129.09 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.872 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.1 m -96.95 125.98 41.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.667 -0.646 . . . . 0.0 110.053 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.75 105.9 18.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.484 -0.76 . . . . 0.0 109.365 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.8 m -85.79 170.87 12.03 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.598 -0.689 . . . . 0.0 110.636 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.76 170.8 10.86 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -64.99 -15.01 48.45 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 O-C-N 123.169 1.089 . . . . 0.0 110.735 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.83 27.77 8.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.345 -0.847 . . . . 0.0 109.946 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' NE2' ' A' ' 84' ' ' HIS . 32.1 m-85 -137.4 164.53 28.42 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.51 -0.744 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.17 172.93 14.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.662 . . . . 0.0 110.127 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.67 25.76 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -88.19 -39.45 14.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.947 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -105.64 27.89 8.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.758 . . . . 0.0 110.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.66 26.57 11.39 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.436 -0.79 . . . . 0.0 110.284 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 -21.08 56.62 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.616 -0.677 . . . . 0.0 110.891 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -96.61 155.24 16.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.389 -0.819 . . . . 0.0 110.763 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.4 ' NE2' ' CE2' ' A' ' 76' ' ' PHE . 28.9 m80 -113.72 152.39 30.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.716 -0.615 . . . . 0.0 109.806 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.377 -0.827 . . . . 0.0 110.234 179.562 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 121.107 0.48 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.23 -8.46 11.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.542 -0.724 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.83 21.88 3.89 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.12 -0.987 . . . . 0.0 111.057 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -120.0 22.4 11.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.232 -0.918 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.7 m 50.58 52.56 12.57 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.273 -0.892 . . . . 0.0 110.977 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 68' ' ' TYR . 47.5 Cg_endo -73.9 -35.56 4.25 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.294 1.155 . . . . 0.0 110.522 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -73.25 143.75 46.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.506 -0.746 . . . . 0.0 109.94 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -121.93 179.04 4.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.538 -0.726 . . . . 0.0 110.47 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 77.8 m-20 52.68 46.88 25.86 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.483 -0.761 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.7 31.95 77.13 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.2 143.2 28.25 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -89.92 122.21 32.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.638 -0.919 . . . . 0.0 109.939 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.94 143.59 26.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.581 -0.699 . . . . 0.0 110.494 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -142.33 139.96 31.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.761 -0.587 . . . . 0.0 109.835 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.16 126.32 29.78 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.609 -0.682 . . . . 0.0 110.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -129.31 -168.89 2.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.623 -0.673 . . . . 0.0 110.116 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.69 122.56 15.06 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 57.08 -85.07 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.787 -0.57 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 m -75.78 -157.67 0.08 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.196 -0.94 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 54' ' ' PRO . 48.4 p90 -130.13 -169.42 2.13 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.559 -0.713 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -146.48 136.36 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -102.89 111.69 24.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.84 98.38 11.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.553 -0.717 . . . . 0.0 109.647 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.2 -168.98 1.38 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.684 -0.635 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.31 162.48 42.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.096 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.28 -16.32 48.0 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.325 1.171 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.04 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 110.802 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 32.2 m-85 -122.25 154.19 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.21 -0.931 . . . . 0.0 110.241 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 -177.62 5.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.563 -0.711 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.96 153.29 11.4 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.0 -31.09 70.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.608 -0.936 . . . . 0.0 110.103 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -128.89 40.73 3.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.606 -0.684 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.8 m 53.48 48.38 21.93 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.397 -0.814 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -116.93 24.94 10.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.531 -0.73 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.1 m -141.03 105.38 4.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.492 -0.755 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.471 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.8 t-160 -77.53 113.61 15.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.571 -0.706 . . . . 0.0 110.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.558 -0.714 . . . . 0.0 110.156 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.078 0.466 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.46 108.98 18.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.187 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.54 -136.15 3.26 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -116.43 119.59 36.13 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.619 -0.93 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -115.88 28.3 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.554 -0.716 . . . . 0.0 110.208 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 t -139.8 32.48 2.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.583 -0.698 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.03 21.14 4.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.48 -0.763 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 p -139.1 27.11 2.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.318 -0.864 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 m 51.98 65.19 6.61 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.306 -0.871 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.1 -31.79 9.25 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.251 1.132 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.36 160.55 14.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.646 -0.659 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.99 -164.55 1.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.548 -0.72 . . . . 0.0 110.802 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.409 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 54.4 m-20 53.77 47.14 24.34 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.594 -0.691 . . . . 0.0 110.979 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.96 63.31 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.94 133.21 31.54 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.4 m -89.74 102.1 14.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.983 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.9 t -89.68 147.74 23.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.773 -0.579 . . . . 0.0 110.545 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.01 135.59 34.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.734 -0.604 . . . . 0.0 110.002 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 119.69 16.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 110.24 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -126.89 -178.76 4.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.593 -0.692 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 148.95 41.05 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 56.55 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.701 -0.625 . . . . 0.0 110.76 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 m -103.4 -159.48 0.72 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.072 -1.018 . . . . 0.0 110.177 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -120.52 -169.93 1.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.544 -0.723 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 2.7 tt -147.02 137.71 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.666 -0.646 . . . . 0.0 110.409 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 m -118.45 118.77 32.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.4 m-85 -94.53 107.71 19.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.694 -0.629 . . . . 0.0 109.533 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 78.4 m -113.58 -170.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.657 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.31 163.14 19.77 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.665 -0.647 . . . . 0.0 110.144 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.73 -15.29 46.96 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 O-C-N 123.291 1.153 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.98 15.32 11.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.682 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -131.46 142.67 50.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -136.91 -168.3 2.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.616 -0.678 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.36 159.14 18.51 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -28.24 67.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.995 . . . . 0.0 110.191 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -138.19 46.54 2.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.604 -0.685 . . . . 0.0 109.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.65 27.53 5.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.472 -0.767 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.87 17.17 10.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.645 -0.659 . . . . 0.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 m -140.64 127.45 20.49 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.408 -0.808 . . . . 0.0 110.25 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 6.6 t60 -84.96 128.71 34.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.597 -0.689 . . . . 0.0 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -77.73 61.7 2.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -86.21 -29.04 23.5 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.444 -0.785 . . . . 0.0 110.164 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 52.69 78.32 0.14 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.357 -0.839 . . . . 0.0 110.814 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.69 -105.01 2.95 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.8 m -84.54 -40.05 18.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.465 -1.02 . . . . 0.0 110.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.267 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.049 0.452 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.37 175.76 5.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.62 -0.675 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.98 -167.87 1.26 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -136.93 137.96 40.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.531 -0.982 . . . . 0.0 110.252 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 10.5 mt-30 -142.4 29.07 1.62 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.504 -0.748 . . . . 0.0 110.238 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -158.35 57.07 0.46 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.591 -0.693 . . . . 0.0 109.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.18 19.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 110.728 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.07 -76.33 0.58 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.487 -0.758 . . . . 0.0 110.441 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 p -174.65 79.61 0.34 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 0.0 110.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.35 -28.95 11.81 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 O-C-N 123.324 1.171 . . . . 0.0 110.363 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.5 m -65.49 172.59 3.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.541 -0.724 . . . . 0.0 109.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -125.83 177.84 6.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.452 -0.78 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 53.04 29.34 7.88 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.505 -0.747 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.92 29.0 71.23 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.42 170.65 30.6 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -95.0 118.75 32.36 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.572 -0.958 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.97 138.89 31.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.618 -0.676 . . . . 0.0 110.477 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -128.16 122.97 33.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.633 -0.667 . . . . 0.0 109.745 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.39 92.48 5.21 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.619 -0.676 . . . . 0.0 110.176 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.91 -169.14 2.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.545 -0.722 . . . . 0.0 110.215 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.24 146.57 48.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 56.67 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.713 -0.617 . . . . 0.0 110.788 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 p -93.23 -157.48 0.54 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.098 -1.001 . . . . 0.0 110.181 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 44.3 p90 -132.04 -171.09 2.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.738 . . . . 0.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -148.74 122.4 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -95.75 121.15 37.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.592 -0.693 . . . . 0.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -89.79 106.47 18.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.73 . . . . 0.0 109.528 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.1 m -77.39 164.81 25.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.624 -0.672 . . . . 0.0 110.545 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -78.0 169.75 19.45 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.707 -0.621 . . . . 0.0 109.677 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.87 -20.7 58.18 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 O-C-N 123.256 1.135 . . . . 0.0 110.408 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.69 27.5 9.6 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 109.977 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 41.1 m-85 -138.72 160.02 40.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.493 -0.754 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -150.15 -169.81 3.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.716 -0.615 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.65 151.69 17.01 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -60.35 -26.41 66.57 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.971 . . . . 0.0 110.477 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -124.44 28.58 6.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.403 -0.811 . . . . 0.0 110.238 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 55.71 47.84 19.66 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.411 -0.805 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -118.5 25.23 10.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.656 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.6 m -140.38 147.08 39.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.78 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -91.58 136.67 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.62 -0.675 . . . . 0.0 110.043 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.51 -72.05 0.46 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.552 -0.718 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -131.93 37.1 3.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.6 -0.688 . . . . 0.0 110.28 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -83.19 -64.23 1.21 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.544 -0.723 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.25 158.61 0.18 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t 55.61 -86.75 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.723 -0.869 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.264 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.169 0.509 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -121.17 -39.21 2.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.72 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.4 -169.64 22.2 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -97.07 90.57 5.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.618 -0.931 . . . . 0.0 110.193 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -121.05 -58.7 1.79 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.549 -0.719 . . . . 0.0 110.198 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.6 t -101.53 26.2 7.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.531 -0.731 . . . . 0.0 110.22 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.94 28.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.378 -0.826 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -114.23 25.28 11.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.555 -0.715 . . . . 0.0 110.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m 51.51 77.72 0.44 Allowed Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.364 -0.835 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.65 -27.87 14.75 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 O-C-N 123.345 1.182 . . . . 0.0 110.464 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.54 -178.47 0.19 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.526 -0.734 . . . . 0.0 109.66 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -146.56 176.83 9.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.478 -0.764 . . . . 0.0 110.567 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 52.94 33.81 15.43 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.467 -0.77 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.55 28.92 70.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.46 171.8 28.56 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.0 115.82 28.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.938 . . . . 0.0 110.124 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.2 t -89.95 126.09 35.61 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.704 -0.623 . . . . 0.0 110.389 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -119.61 144.07 47.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.72 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 108.33 21.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.551 -0.718 . . . . 0.0 110.379 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -90.01 -167.36 1.82 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.525 -0.734 . . . . 0.0 109.971 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.23 -67.95 0.66 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.441 -0.787 . . . . 0.0 110.903 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -66.36 -69.24 0.31 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.523 -0.736 . . . . 0.0 110.714 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -118.19 -151.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -112.36 -176.19 2.86 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.442 -0.787 . . . . 0.0 110.072 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -150.4 119.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.606 -0.683 . . . . 0.0 110.691 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.7 m -96.67 118.4 33.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.516 -0.74 . . . . 0.0 110.112 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -89.61 112.53 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.542 -0.724 . . . . 0.0 109.479 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.7 m -89.46 -179.34 5.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 110.425 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 3.3 mt -91.88 169.4 11.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.667 -0.646 . . . . 0.0 109.763 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.76 -14.46 43.92 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.309 1.163 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.35 24.26 12.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.229 -0.919 . . . . 0.0 110.299 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -132.91 165.95 23.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.447 -0.783 . . . . 0.0 110.507 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.11 178.64 8.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.668 . . . . 0.0 110.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.47 163.81 20.85 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -77.51 -23.81 50.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.621 -0.929 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -119.83 26.46 9.31 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.398 -0.814 . . . . 0.0 110.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.5 m 54.03 42.25 31.7 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.362 -0.836 . . . . 0.0 110.512 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.27 -18.89 13.98 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.563 -0.711 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -86.59 149.23 25.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -113.51 112.77 24.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -67.38 95.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.591 -0.693 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -91.95 88.54 6.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.595 -0.691 . . . . 0.0 110.277 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 52.91 -174.77 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.439 -0.788 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.44 -141.34 11.34 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -90.46 -30.01 17.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.55 -0.971 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.165 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.049 0.452 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -106.35 29.62 6.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.57 -174.3 18.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.33 95.98 4.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.584 -0.951 . . . . 0.0 110.203 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.2 mp0 -113.17 -27.32 8.05 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.586 -0.696 . . . . 0.0 110.301 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 27.1 8.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.479 -0.763 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -27.56 19.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.685 . . . . 0.0 110.47 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -112.22 26.57 10.45 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.511 -0.743 . . . . 0.0 110.532 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 p 46.18 80.04 0.31 Allowed Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.619 -0.676 . . . . 0.0 111.511 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.53 -27.05 16.06 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.31 1.163 . . . . 0.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.0 m -97.58 -178.45 4.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.499 -0.751 . . . . 0.0 110.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.89 -166.25 1.64 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.516 -0.74 . . . . 0.0 110.765 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' CE1' ' A' ' 76' ' ' PHE . 69.1 m-80 54.25 30.02 11.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.482 -0.761 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.33 31.8 70.77 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.23 151.59 45.26 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 m -89.71 104.54 17.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.591 -0.947 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -89.54 118.7 29.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.706 . . . . 0.0 110.429 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -106.45 140.75 38.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.577 -0.702 . . . . 0.0 110.012 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.12 91.32 7.65 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.605 -0.685 . . . . 0.0 110.116 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -89.98 -169.01 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.654 -0.654 . . . . 0.0 110.133 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.06 148.08 46.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.564 -0.71 . . . . 0.0 110.198 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 56.62 -85.94 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.649 -0.657 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -95.27 -159.06 0.69 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.095 -1.003 . . . . 0.0 110.18 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 50.4 p90 -129.06 -170.46 2.28 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.416 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.08 141.84 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.653 -0.654 . . . . 0.0 110.491 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -114.23 109.41 18.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.5 -0.75 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 69.2 m-85 -90.46 99.83 12.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.94 -169.56 1.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.636 -0.665 . . . . 0.0 110.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.96 163.35 35.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.659 -0.651 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.84 -10.08 27.67 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.354 1.186 . . . . 0.0 111.347 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.28 -17.41 29.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.2 -0.938 . . . . 0.0 110.542 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' OD1' ' A' ' 57' ' ' ASN . 30.1 m-85 -97.61 159.36 14.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.333 -0.855 . . . . 0.0 110.302 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 179.18 8.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.542 -0.724 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.73 155.23 14.09 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.11 -38.83 87.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.532 -0.981 . . . . 0.0 110.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -114.81 33.12 5.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.611 -0.681 . . . . 0.0 110.019 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.6 m 53.49 52.79 12.68 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.359 -0.838 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.31 26.01 9.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.535 -0.728 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.2 m -137.29 118.37 14.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.523 -0.735 . . . . 0.0 110.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -85.24 89.89 7.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -82.85 100.82 10.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.493 -0.754 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.27 79.83 8.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.26 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.0 p30 -168.32 -165.33 0.59 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.8 118.69 5.01 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.46 47.18 1.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.548 -0.972 . . . . 0.0 110.214 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.21 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.087 0.47 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -92.49 48.78 1.41 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.597 -0.689 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.63 56.78 0.4 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -126.02 28.92 5.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.578 -0.954 . . . . 0.0 110.186 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -90.96 -23.55 20.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.617 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 32.0 t -103.07 27.17 7.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.516 -0.74 . . . . 0.0 110.081 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.08 -24.61 37.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.531 -0.731 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.73 19.93 10.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.412 -0.805 . . . . 0.0 110.735 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 51.41 71.28 1.56 Allowed Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -73.45 -45.15 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 123.368 1.194 . . . . 0.0 110.457 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -82.78 156.55 23.63 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.641 -0.662 . . . . 0.0 110.122 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -146.5 -155.64 0.64 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.722 . . . . 0.0 110.461 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 54.31 46.04 25.99 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.377 -0.827 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.43 28.49 64.87 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.02 141.49 19.31 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -89.85 140.59 29.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.545 -0.973 . . . . 0.0 109.829 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -118.79 156.9 28.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.524 -0.735 . . . . 0.0 110.557 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 141.73 24.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.668 -0.645 . . . . 0.0 109.853 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.71 140.34 35.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.529 -0.732 . . . . 0.0 110.203 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -144.05 -168.92 2.99 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.586 -0.696 . . . . 0.0 110.094 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.71 148.24 38.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 56.49 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.641 -0.662 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -166.47 1.34 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.981 . . . . 0.0 110.221 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -114.71 -170.4 1.73 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 tt -150.26 137.69 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.649 -0.657 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -120.94 143.04 49.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.553 -0.717 . . . . 0.0 110.632 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -111.64 104.48 12.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.635 -0.666 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 73.6 m -110.16 -171.92 1.93 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.573 -0.704 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.91 162.83 23.84 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.671 -0.643 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.39 -13.62 40.67 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 O-C-N 123.317 1.167 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.97 17.02 9.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.612 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -134.17 154.4 51.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 110.674 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -147.64 179.84 7.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.772 -0.58 . . . . 0.0 110.255 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.31 154.42 17.43 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -25.75 63.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.506 -0.996 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -128.57 29.1 5.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.7 m 52.91 53.46 12.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.433 -0.792 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.45 -23.09 15.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.662 -0.649 . . . . 0.0 110.908 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.9 t -103.18 168.51 9.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.372 -0.83 . . . . 0.0 111.008 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -111.53 160.08 17.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 109.718 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -119.61 120.51 36.91 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.464 -0.772 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.86 49.19 1.06 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.575 -0.703 . . . . 0.0 110.231 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 89.25 7.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.587 -0.696 . . . . 0.0 110.162 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.96 -93.82 1.68 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.85 94.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.382 -1.07 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.208 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.0 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.105 0.478 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.04 97.97 10.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 110.215 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.25 121.63 0.01 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -110.64 85.61 2.15 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.563 -0.963 . . . . 0.0 110.229 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -97.86 28.95 3.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.0 t -132.28 43.9 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.522 -0.736 . . . . 0.0 109.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.16 -26.1 36.3 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.55 -0.719 . . . . 0.0 110.495 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -115.79 24.47 11.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.466 -0.771 . . . . 0.0 110.652 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.0 t 51.11 84.85 0.2 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.244 -0.91 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 68' ' ' TYR . 46.7 Cg_endo -73.4 -28.38 12.29 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.417 1.219 . . . . 0.0 110.562 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.83 178.42 0.46 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.523 -0.735 . . . . 0.0 109.725 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.1 173.18 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.524 -0.735 . . . . 0.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 53.0 41.57 32.18 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.438 -0.789 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.79 69.65 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.33 163.81 41.94 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.03 115.17 26.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.969 . . . . 0.0 110.054 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.81 144.49 25.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.586 -0.696 . . . . 0.0 110.385 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.04 124.68 16.85 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.675 -0.64 . . . . 0.0 110.04 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.08 120.13 16.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.654 -0.654 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.8 -172.47 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.687 -0.633 . . . . 0.0 110.186 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -61.23 138.1 58.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.556 -0.715 . . . . 0.0 110.191 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 56.53 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.659 -0.65 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -91.15 -158.12 0.54 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.04 -1.037 . . . . 0.0 110.247 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CE2' ' CG ' ' A' ' 54' ' ' PRO . 48.4 p90 -129.46 -168.64 1.97 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.0 110.376 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -147.08 134.15 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.668 -0.645 . . . . 0.0 110.718 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.9 m -102.88 117.47 34.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.599 -0.688 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -89.89 94.0 9.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.512 -0.743 . . . . 0.0 109.514 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.4 m -71.45 175.56 5.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.65 . . . . 0.0 110.382 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.76 170.51 14.38 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.779 -0.576 . . . . 0.0 109.663 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -65.96 -21.99 56.15 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 O-C-N 123.196 1.103 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.83 25.92 10.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.417 -0.802 . . . . 0.0 109.991 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 34.9 m-85 -135.47 162.08 33.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.532 -0.73 . . . . 0.0 110.2 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -150.16 175.18 11.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.559 -0.713 . . . . 0.0 110.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.46 154.28 18.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.4 -43.79 97.99 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.609 -0.936 . . . . 0.0 110.089 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -104.92 27.83 7.74 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.672 . . . . 0.0 110.089 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.1 m 55.55 47.34 21.08 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.448 -0.783 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.04 25.28 11.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.592 -0.693 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -133.17 85.89 2.25 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.521 -0.737 . . . . 0.0 110.193 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 t-160 -61.96 119.93 9.8 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.606 -0.684 . . . . 0.0 110.106 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -84.28 94.5 8.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.529 -0.732 . . . . 0.0 110.222 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.07 80.23 1.57 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.556 -0.715 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.34 109.21 19.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.616 -0.678 . . . . 0.0 110.17 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.27 -117.0 4.01 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.0 m 52.85 87.81 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.479 -1.012 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.709 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.156 0.503 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -115.82 149.28 38.84 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.576 -0.703 . . . . 0.0 110.249 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.95 72.59 0.07 OUTLIER Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -150.01 -41.15 0.14 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.563 -0.963 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.49 -26.24 66.67 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.336 -0.853 . . . . 0.0 110.433 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.2 t -112.07 32.02 5.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.528 -0.732 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.91 -24.61 30.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.56 -0.713 . . . . 0.0 110.602 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -95.38 19.34 10.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.436 -0.79 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 51.07 72.99 1.06 Allowed Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.254 -0.904 . . . . 0.0 111.002 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.81 -40.62 1.34 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 O-C-N 123.338 1.178 . . . . 0.0 110.401 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.0 m -87.02 172.35 10.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.564 -0.71 . . . . 0.0 110.334 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -157.33 -159.16 0.82 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.556 -0.715 . . . . 0.0 110.296 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 53.53 48.04 22.63 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.415 -0.803 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.75 29.84 71.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.53 133.08 12.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -89.87 104.38 16.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.611 -0.935 . . . . 0.0 110.058 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -89.78 151.82 21.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.557 -0.714 . . . . 0.0 110.584 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.8 149.79 35.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.661 -0.649 . . . . 0.0 109.921 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.92 122.8 28.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.637 -0.664 . . . . 0.0 110.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -109.68 -167.72 1.24 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.574 -0.704 . . . . 0.0 110.081 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.12 -75.19 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.484 -0.76 . . . . 0.0 110.856 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -90.12 -77.12 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.41 -0.806 . . . . 0.0 110.547 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.7 p -83.39 -161.61 0.53 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 110.17 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.94 -171.9 1.95 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.61 -0.681 . . . . 0.0 110.155 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.12 135.87 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.6 m -119.1 120.14 36.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.62 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.6 m-85 -96.01 110.21 22.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.709 -0.619 . . . . 0.0 109.748 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.84 -173.47 2.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.472 -0.767 . . . . 0.0 110.482 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.81 164.2 37.9 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.665 -0.647 . . . . 0.0 110.26 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.44 -15.76 46.1 Favored 'Trans proline' 0 C--N 1.318 -1.06 0 O-C-N 123.384 1.202 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.81 12.9 15.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 0.0 110.679 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.0 m-85 -124.74 148.36 48.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -140.6 172.61 12.47 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.634 -0.666 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.44 171.51 17.21 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -83.12 -28.92 29.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.581 -0.953 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -119.58 29.11 7.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.562 -0.711 . . . . 0.0 110.14 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.7 m 53.1 53.96 11.11 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.505 -0.747 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -107.66 -19.29 13.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.532 -0.73 . . . . 0.0 110.729 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 m -95.89 144.36 26.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 0.0 110.266 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.4 t-160 -114.43 99.36 7.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -61.43 95.08 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.54 -0.725 . . . . 0.0 110.183 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.64 88.01 7.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.614 -0.679 . . . . 0.0 110.206 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.49 -28.64 63.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.605 -0.685 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.39 141.74 13.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.8 p -86.45 150.07 24.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.945 . . . . 0.0 110.244 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.191 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.083 0.468 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.0 p30 -137.15 162.75 32.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.598 -0.689 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.66 132.09 15.38 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.64 117.54 29.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.982 . . . . 0.0 110.237 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -110.19 28.2 8.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -130.62 42.5 3.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.539 -0.726 . . . . 0.0 110.009 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.31 -27.3 29.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.615 -0.678 . . . . 0.0 110.507 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.56 21.89 11.9 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.441 -0.787 . . . . 0.0 110.73 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m 50.71 83.05 0.23 Allowed Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.169 -0.957 . . . . 0.0 111.025 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.88 -26.74 15.24 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.375 1.198 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.24 163.47 6.33 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.512 -0.743 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -139.48 177.73 7.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.506 -0.747 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 53.05 46.43 26.74 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.41 -0.806 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.35 31.94 75.53 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.21 149.02 36.78 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 m -89.84 122.81 33.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.91 . . . . 0.0 109.846 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.98 133.81 34.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.572 -0.705 . . . . 0.0 110.572 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.39 124.5 36.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.651 -0.655 . . . . 0.0 109.724 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 89.84 5.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.58 -0.7 . . . . 0.0 110.109 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -90.03 -169.06 2.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.565 -0.709 . . . . 0.0 110.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.65 146.83 51.35 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.509 -0.745 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 56.35 -86.13 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.707 -0.621 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -157.87 0.6 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.169 -0.957 . . . . 0.0 110.135 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -129.33 -170.82 2.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.483 -0.761 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.413 HG22 ' CE2' ' A' ' 71' ' ' PHE . 2.9 tt -148.44 131.09 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.699 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.6 m -97.89 108.96 21.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.567 -0.708 . . . . 0.0 110.209 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE2' HG22 ' A' ' 69' ' ' ILE . 37.1 m-85 -89.81 112.47 23.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.509 -0.745 . . . . 0.0 109.738 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.1 m -123.14 -169.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.557 -0.715 . . . . 0.0 110.617 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.51 163.34 47.56 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.728 -0.608 . . . . 0.0 110.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 -10.25 28.14 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.39 1.205 . . . . 0.0 111.354 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.35 -17.54 28.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.0 110.561 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 36.0 m-85 -101.64 155.51 18.06 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.94 174.59 12.52 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.263 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.57 160.41 13.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -60.82 -45.18 95.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.488 -1.007 . . . . 0.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -108.7 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.598 -0.689 . . . . 0.0 109.958 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.7 m 53.81 54.68 9.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.46 -0.775 . . . . 0.0 110.69 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.42 25.05 10.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.547 -0.721 . . . . 0.0 110.419 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.0 m -135.83 117.52 15.0 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.52 -0.737 . . . . 0.0 110.108 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 t60 -81.68 89.97 6.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.537 -0.727 . . . . 0.0 110.196 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -86.62 80.65 8.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -101.45 30.82 4.04 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.578 -0.701 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -132.7 114.9 14.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 110.183 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -135.89 -84.69 0.18 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.95 -49.24 0.51 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.547 -0.973 . . . . 0.0 110.205 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.183 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -94.61 85.01 4.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.5 -0.75 . . . . 0.0 110.175 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.32 -61.5 0.03 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.0 75.93 7.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.539 -0.977 . . . . 0.0 110.19 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -113.42 -29.66 7.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.559 -0.713 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.9 t -111.24 31.47 6.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.523 -0.736 . . . . 0.0 109.939 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.46 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.551 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.4 p -91.99 16.6 10.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t 51.04 71.93 1.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.61 -47.95 0.27 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.24 1.126 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.66 160.65 22.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.573 -0.704 . . . . 0.0 110.165 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -147.78 -154.19 0.54 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.483 -0.76 . . . . 0.0 110.525 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 54.5 43.7 29.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.397 -0.814 . . . . 0.0 110.96 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.26 29.14 65.39 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.39 146.51 21.77 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -89.79 144.54 25.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 109.852 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.95 157.71 33.71 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.593 -0.692 . . . . 0.0 110.554 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -150.03 170.89 17.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.63 -0.669 . . . . 0.0 109.855 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.85 127.91 54.14 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.576 -0.703 . . . . 0.0 110.339 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -111.28 -168.2 1.28 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.551 -0.718 . . . . 0.0 110.153 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.21 -77.35 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.7 -76.97 0.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.467 -0.771 . . . . 0.0 110.37 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -87.7 -158.27 0.45 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.083 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -115.77 -170.77 1.85 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.596 -0.69 . . . . 0.0 110.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.11 139.5 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.52 143.48 46.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.532 -0.73 . . . . 0.0 110.727 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -118.37 103.07 9.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.73 -0.606 . . . . 0.0 109.701 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.62 -170.04 1.57 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.493 -0.754 . . . . 0.0 110.467 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.47 164.63 34.39 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.42 -18.11 49.37 Favored 'Trans proline' 0 C--N 1.317 -1.13 0 O-C-N 123.337 1.177 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.97 14.07 13.14 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -127.59 140.53 52.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.206 -0.934 . . . . 0.0 110.243 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -135.39 -177.8 4.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.667 -0.646 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.53 153.88 13.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.89 -31.84 71.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.566 -0.961 . . . . 0.0 110.1 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.93 35.24 4.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.644 -0.66 . . . . 0.0 110.03 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m 52.89 38.51 27.09 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.415 -0.803 . . . . 0.0 110.731 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -108.34 25.16 11.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.72 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.6 m -136.99 91.54 2.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.508 -0.745 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.7 t60 -61.77 116.97 5.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.554 -0.717 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -60.67 -80.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 110.291 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -178.64 -38.0 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.318 -0.864 . . . . 0.0 109.156 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -168.72 -164.93 0.52 Allowed 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.9 119.27 3.85 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -83.66 -71.33 0.51 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.602 -0.94 . . . . 0.0 110.232 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.26 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -163.09 116.75 1.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.487 -0.758 . . . . 0.0 110.305 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 170.66 36.9 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.14 97.35 6.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.578 -0.954 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 39.8 mt-30 -106.75 -29.03 9.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.621 -0.674 . . . . 0.0 110.15 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.6 m -113.31 32.43 5.76 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.626 -0.671 . . . . 0.0 110.05 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.37 -44.27 37.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.669 -0.644 . . . . 0.0 110.373 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -100.85 22.97 11.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.562 -0.712 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t 50.91 79.69 0.33 Allowed Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 121.272 -0.892 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.82 -28.55 13.44 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.296 1.156 . . . . 0.0 110.399 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.64 172.3 1.28 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.553 -0.717 . . . . 0.0 109.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -128.38 175.58 8.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.469 -0.769 . . . . 0.0 110.262 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 52.6 35.23 17.55 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.449 -0.782 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.88 30.13 76.27 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.15 156.15 53.55 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -91.33 119.32 31.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.586 -0.949 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.8 t -89.98 127.04 35.96 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.585 -0.697 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -115.39 142.03 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.554 -0.717 . . . . 0.0 110.183 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.47 112.48 21.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.573 -0.704 . . . . 0.0 110.169 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -112.87 -169.16 1.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.608 -0.683 . . . . 0.0 110.214 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 146.31 53.14 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.502 -0.749 . . . . 0.0 110.056 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 56.96 -85.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.585 -0.697 . . . . 0.0 110.715 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -98.49 -159.43 0.74 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 110.199 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.404 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 51.6 p90 -124.47 -168.03 1.74 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.64 -0.662 . . . . 0.0 110.335 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -149.4 146.37 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.642 . . . . 0.0 110.559 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 m -108.63 121.07 44.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.535 -0.728 . . . . 0.0 110.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -89.71 100.68 13.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.92 -178.6 6.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 110.439 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.6 mt -94.24 170.11 8.77 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.711 -0.618 . . . . 0.0 109.807 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.35 -18.8 55.74 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.273 1.144 . . . . 0.0 110.707 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.42 24.15 13.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.198 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.6 m-85 -135.04 168.14 19.66 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.507 -0.745 . . . . 0.0 110.208 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.17 173.41 13.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.63 147.77 13.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -61.09 -41.43 96.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.948 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.89 28.98 7.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.59 -0.694 . . . . 0.0 110.026 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m 55.84 48.47 18.07 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.419 -0.8 . . . . 0.0 110.334 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.69 22.01 15.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.1 m -137.63 103.36 5.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 t-160 -76.48 119.68 20.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.65 -0.656 . . . . 0.0 110.157 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -83.65 -72.12 0.47 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.532 -0.73 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD1' ' CD2' ' A' ' 84' ' ' HIS . 2.2 m-20 57.02 -84.97 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.656 -0.653 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.1 t70 55.87 -87.63 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.187 -0.945 . . . . 0.0 110.759 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.07 -92.53 1.65 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -160.73 148.13 15.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.622 -0.928 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.229 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.123 0.487 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -89.13 -28.46 20.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.554 -0.716 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.52 178.46 40.73 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.94 97.21 11.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.543 -0.975 . . . . 0.0 110.17 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -134.73 -56.24 0.83 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.608 -0.683 . . . . 0.0 110.226 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.97 27.37 8.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.505 -0.747 . . . . 0.0 110.191 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.81 18.75 6.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.496 -0.753 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 m -137.07 25.42 3.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.256 -0.903 . . . . 0.0 110.442 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m 51.8 61.26 12.72 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 111.005 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.58 -22.82 20.54 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.191 1.1 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.63 156.72 16.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.329 -0.857 . . . . 0.0 109.812 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.23 169.75 9.97 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.525 -0.734 . . . . 0.0 110.404 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 52.11 44.16 29.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.473 -0.767 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.95 75.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.63 150.26 51.82 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -90.08 131.77 35.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.588 -0.948 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 t -89.86 142.81 27.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.666 -0.646 . . . . 0.0 109.671 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -145.68 134.72 22.67 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -81.31 143.68 32.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.594 -0.692 . . . . 0.0 110.478 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -150.05 -169.07 3.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.98 160.26 27.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.583 -0.698 . . . . 0.0 110.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 56.89 -85.55 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.632 -0.667 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.2 p -112.0 -157.58 0.62 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.098 -1.001 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.12 -174.55 2.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.52 -0.737 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 139.01 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.762 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 m -109.28 122.24 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.628 -0.67 . . . . 0.0 110.217 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 22.3 m-85 -89.66 94.16 9.74 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 109.687 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.15 179.31 0.57 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.625 -0.672 . . . . 0.0 110.304 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -85.0 169.96 14.85 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.673 -0.642 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.23 -20.6 55.79 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.212 1.111 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.16 24.87 12.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.451 -0.781 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -135.2 164.18 28.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -150.17 175.83 11.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.535 -0.728 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.68 152.22 19.02 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -61.41 -44.02 97.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.654 -0.909 . . . . 0.0 110.042 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -104.3 27.8 7.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.672 -0.643 . . . . 0.0 109.912 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.2 m 55.66 46.81 21.94 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.471 -0.768 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.71 23.4 14.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.71 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -134.69 111.3 9.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.445 -0.784 . . . . 0.0 110.171 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -81.57 116.8 21.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.566 -0.709 . . . . 0.0 110.112 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -74.73 -33.19 62.32 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 0.0 110.202 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.77 59.74 3.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.597 -0.689 . . . . 0.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.27 179.55 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.38 -0.825 . . . . 0.0 110.748 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.4 154.09 25.26 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -118.38 -54.25 2.29 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.599 -0.942 . . . . 0.0 110.215 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.181 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -165.65 48.59 0.09 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.92 175.47 14.7 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -102.1 82.69 2.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.582 -0.952 . . . . 0.0 110.153 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mp0 -110.31 -53.05 2.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.67 -0.644 . . . . 0.0 110.132 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -118.5 37.25 4.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.577 -0.702 . . . . 0.0 109.682 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.44 -17.12 54.93 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.726 -0.609 . . . . 0.0 111.032 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -111.05 -77.34 0.59 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.29 -0.881 . . . . 0.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t 178.0 68.58 0.1 Allowed Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.298 -0.876 . . . . 0.0 110.356 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.38 -25.34 15.52 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 O-C-N 123.192 1.101 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 66.8 m -60.26 155.86 16.75 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.493 -0.754 . . . . 0.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 173.23 8.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.544 -0.722 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.02 41.21 32.15 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.468 -0.77 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.91 29.82 73.55 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.52 52.93 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.8 m -90.84 133.17 35.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.551 -0.97 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.77 142.57 27.56 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.6 -0.688 . . . . 0.0 109.948 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -147.62 129.44 15.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.762 -0.586 . . . . 0.0 109.48 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.46 146.52 46.84 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.557 -0.715 . . . . 0.0 110.347 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -145.38 -169.02 3.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.567 -0.708 . . . . 0.0 110.013 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.44 115.74 4.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.504 -0.748 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 56.54 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.677 -0.64 . . . . 0.0 110.746 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -62.33 -157.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.977 . . . . 0.0 110.215 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' A' ' 68' ' ' TYR . 26.7 p90 -141.15 -173.94 3.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.467 -0.771 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.16 141.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.571 -0.706 . . . . 0.0 110.669 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.2 m -109.99 117.19 33.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.576 -0.702 . . . . 0.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.4 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 42.4 m-85 -89.9 121.07 31.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.449 -0.782 . . . . 0.0 109.908 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.2 m -130.02 -167.78 1.86 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.468 -0.77 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 mp -79.89 162.13 63.51 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.693 -0.63 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.87 -17.16 51.59 Favored 'Trans proline' 0 C--N 1.316 -1.147 0 O-C-N 123.292 1.154 . . . . 0.0 110.73 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 17.48 10.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 23.5 m-85 -125.06 151.63 45.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.264 -0.897 . . . . 0.0 110.488 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.02 178.43 8.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.61 -0.681 . . . . 0.0 110.074 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.85 156.84 11.05 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -61.06 -28.12 68.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.977 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -131.15 38.13 3.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.568 -0.708 . . . . 0.0 110.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.7 m 53.15 43.55 31.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.408 -0.807 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.24 23.77 13.65 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.566 -0.709 . . . . 0.0 110.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.2 m -144.34 110.55 5.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.47 -0.769 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 72.7 m80 -68.43 168.94 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.548 -0.72 . . . . 0.0 109.813 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -127.23 128.86 46.74 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.72 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -134.26 52.03 2.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.579 -0.701 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.61 48.96 0.88 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.196 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.82 155.12 6.32 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.1 t 52.84 -177.52 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.412 -1.052 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.185 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.158 0.504 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 52.84 -178.57 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.417 -0.802 . . . . 0.0 110.82 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.14 -154.89 25.97 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -90.01 164.43 14.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.617 -0.931 . . . . 0.0 110.187 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -159.67 27.92 0.19 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.475 -0.766 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -138.86 29.36 2.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.592 -0.692 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.86 20.87 4.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.55 -0.719 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 p -132.73 25.62 4.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 t 51.58 57.36 16.53 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.348 -0.845 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.64 -28.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.284 1.15 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.0 m -104.86 171.33 7.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.161 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.28 -158.76 0.82 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.99 43.34 30.95 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.401 -0.812 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.95 28.68 66.49 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.63 135.21 15.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.81 111.12 22.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.961 . . . . 0.0 110.033 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.3 t -89.82 156.02 18.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.592 -0.692 . . . . 0.0 110.499 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.66 133.79 17.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.645 -0.659 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.33 122.63 19.95 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.507 -0.746 . . . . 0.0 110.214 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -126.37 -169.29 1.99 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.602 -0.686 . . . . 0.0 110.178 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.57 141.76 56.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.213 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 56.38 -86.18 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.692 -0.63 . . . . 0.0 110.728 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.4 m -94.61 -159.09 0.68 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 110.068 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -124.97 -169.94 2.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -145.25 143.72 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.694 -0.629 . . . . 0.0 110.415 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m -129.78 122.82 29.57 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.598 -0.689 . . . . 0.0 110.761 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.99 94.44 9.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.636 -0.665 . . . . 0.0 109.432 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.93 176.4 1.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.58 -0.7 . . . . 0.0 110.18 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 mt -84.36 169.14 17.71 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.737 -0.602 . . . . 0.0 109.962 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.63 -24.0 48.68 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.306 1.161 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.46 23.99 11.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.466 -0.771 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 50.6 m-85 -136.97 163.97 29.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.486 -0.759 . . . . 0.0 110.27 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -150.05 179.61 7.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.547 -0.721 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.62 150.63 17.81 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.44 -40.75 95.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.55 -0.971 . . . . 0.0 110.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -105.37 27.3 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.585 -0.697 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.97 49.04 19.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.444 -0.785 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.41 24.96 10.97 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.478 -0.764 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -133.39 119.03 19.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.473 -0.767 . . . . 0.0 110.296 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.4 t60 -84.22 110.61 18.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.645 -0.659 . . . . 0.0 110.192 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.7 107.37 0.95 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.59 -0.694 . . . . 0.0 110.137 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.74 -33.28 5.55 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.66 159.29 20.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.591 -0.693 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.98 -55.09 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.4 m -96.9 36.52 1.4 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.629 -0.924 . . . . 0.0 110.201 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.266 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.041 0.448 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.16 -71.59 0.26 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 -141.14 16.69 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.32 161.15 26.48 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.573 -0.957 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -138.38 27.92 2.53 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.673 . . . . 0.0 110.223 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -142.95 48.81 1.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.593 -0.692 . . . . 0.0 110.055 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.77 -44.48 11.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 110.239 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -109.05 28.19 8.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.614 -0.678 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t 52.3 94.55 0.05 OUTLIER Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.372 -0.83 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.9 -33.05 8.27 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.478 1.252 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -89.69 166.39 13.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.591 -0.693 . . . . 0.0 110.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -159.1 0.98 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.542 -0.724 . . . . 0.0 110.488 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 98.2 m-20 53.31 53.22 12.1 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.403 -0.811 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.1 26.12 65.36 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.22 132.87 11.52 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.3 m -89.93 116.71 28.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.931 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -89.9 149.89 22.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.738 -0.601 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.28 122.69 9.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.68 -0.637 . . . . 0.0 109.943 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -71.03 122.92 20.92 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.487 -0.758 . . . . 0.0 110.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -122.37 -169.32 1.88 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 134.43 54.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.688 -0.633 . . . . 0.0 110.229 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 56.31 -86.38 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.718 -0.614 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.1 p -84.12 -158.0 0.3 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.947 . . . . 0.0 110.119 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -132.98 -170.6 2.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.12 140.85 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.616 -0.677 . . . . 0.0 110.416 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 m -119.73 128.72 54.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 110.385 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.59 113.24 25.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.622 -0.674 . . . . 0.0 109.735 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.0 m -123.64 179.35 4.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.714 . . . . 0.0 110.407 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.72 164.02 44.1 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.696 -0.628 . . . . 0.0 110.153 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.1 -10.72 29.77 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 O-C-N 123.403 1.212 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.44 30.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.229 -0.919 . . . . 0.0 110.663 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.1 m-85 -97.82 159.91 14.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.245 -0.909 . . . . 0.0 110.266 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.0 179.82 7.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.547 -0.721 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.81 152.22 18.83 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.73 -37.36 81.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.48 -1.012 . . . . 0.0 110.124 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -113.19 32.26 5.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 110.003 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.3 m 53.03 42.07 32.21 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.427 -0.795 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -107.51 24.92 12.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.4 m -139.66 101.5 4.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.5 t-160 -76.25 90.33 3.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.595 -0.691 . . . . 0.0 110.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -81.33 84.91 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.564 -0.71 . . . . 0.0 110.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -72.27 73.02 0.95 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.581 -0.699 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.13 163.4 6.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.545 -0.722 . . . . 0.0 110.116 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.16 32.44 2.39 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.2 p -166.77 -43.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.592 -0.946 . . . . 0.0 110.199 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.202 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.083 0.468 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -88.4 125.93 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.731 . . . . 0.0 110.178 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.5 -136.98 4.61 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -89.92 123.08 33.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.496 -1.002 . . . . 0.0 110.26 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -113.17 -27.33 8.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.579 -0.701 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 t -101.47 26.86 6.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.494 -0.754 . . . . 0.0 110.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.34 65.86 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.568 -0.707 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -130.81 23.37 4.99 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.494 -0.754 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t 51.1 80.76 0.28 Allowed Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.59 -28.33 14.43 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.386 1.203 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.7 m -63.95 154.75 33.03 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.522 -0.737 . . . . 0.0 109.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -125.89 174.06 8.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.497 -0.752 . . . . 0.0 110.465 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 52.56 49.05 21.23 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.783 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.34 30.13 73.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.09 140.5 27.69 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -90.44 125.33 35.53 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.606 -0.938 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.01 134.28 34.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HG3' ' CE2' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -126.1 118.16 24.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 109.791 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.91 112.86 5.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.615 -0.678 . . . . 0.0 110.236 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -121.43 -175.44 3.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.549 -0.72 . . . . 0.0 110.18 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tt -61.05 148.37 40.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.594 -0.691 . . . . 0.0 110.191 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 56.63 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.789 -0.569 . . . . 0.0 110.717 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -104.95 -160.45 0.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.126 -0.984 . . . . 0.0 110.075 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -119.3 -168.97 1.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.346 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.409 HG22 ' CE2' ' A' ' 71' ' ' PHE . 2.9 tt -147.47 126.33 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.406 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.2 m -89.89 111.54 22.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.569 -0.707 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.409 ' CE2' HG22 ' A' ' 69' ' ' ILE . 29.5 m-85 -89.94 98.62 11.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.717 . . . . 0.0 109.701 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -109.59 -169.03 1.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.587 -0.696 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.53 163.17 55.56 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.734 -0.604 . . . . 0.0 110.117 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.11 -17.43 50.71 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.331 1.174 . . . . 0.0 110.819 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.01 13.88 13.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 37.9 m-85 -126.97 151.81 48.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.159 -0.963 . . . . 0.0 110.276 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.95 177.67 9.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.76 161.4 14.22 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -61.14 -38.68 87.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.531 -0.982 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -120.26 36.25 4.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 110.055 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.8 m 53.45 51.04 16.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.553 -0.717 . . . . 0.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.66 26.93 9.36 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.41 95.26 2.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.538 -0.726 . . . . 0.0 110.194 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 t60 -61.49 115.09 3.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.538 -0.726 . . . . 0.0 110.12 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -61.53 -70.62 0.18 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.563 -0.71 . . . . 0.0 110.134 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t0 52.88 50.09 18.8 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.58 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.618 -0.676 . . . . 0.0 110.781 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.15 -159.69 53.81 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -102.72 -43.45 5.58 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.536 -0.979 . . . . 0.0 110.198 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.139 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.773 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.069 0.461 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.07 -39.64 68.87 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.603 -0.686 . . . . 0.0 110.187 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.27 -172.54 9.22 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.33 124.18 48.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.541 -0.976 . . . . 0.0 110.208 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -114.0 -27.5 7.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.593 -0.692 . . . . 0.0 110.431 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -65.09 -27.95 69.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.473 -0.767 . . . . 0.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.53 -23.72 58.9 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.538 -0.726 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -89.69 -18.22 26.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.411 -0.806 . . . . 0.0 110.747 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m 54.34 57.54 12.37 Favored Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.132 -0.98 . . . . 0.0 110.519 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.61 -26.9 15.96 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.298 1.157 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.47 171.41 11.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.479 -0.763 . . . . 0.0 110.228 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.41 -165.8 1.62 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.507 -0.746 . . . . 0.0 110.707 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 52.74 24.3 3.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.5 -0.75 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.14 33.03 78.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.65 156.34 39.73 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -89.84 103.44 16.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.561 -0.964 . . . . 0.0 110.166 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.06 139.77 30.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.598 -0.689 . . . . 0.0 110.79 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 131.35 52.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.649 -0.657 . . . . 0.0 109.737 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.93 111.29 4.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 0.0 110.338 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -115.0 -171.25 1.91 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.57 -0.706 . . . . 0.0 109.983 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.99 131.73 51.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.78 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.719 -0.613 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -83.57 -156.71 0.21 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.16 -0.962 . . . . 0.0 110.319 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -134.49 -169.27 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.575 -0.703 . . . . 0.0 110.593 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -145.91 130.48 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.707 -0.621 . . . . 0.0 110.087 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 m -115.06 131.1 57.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.441 -0.787 . . . . 0.0 111.25 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.51 105.67 17.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.96 -169.24 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.565 -0.709 . . . . 0.0 110.366 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -103.35 169.67 7.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.818 -0.551 . . . . 0.0 110.06 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.05 -22.42 47.72 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.339 1.178 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.04 23.73 13.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 0.0 110.294 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.2 m-85 -132.63 170.09 15.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.464 -0.772 . . . . 0.0 110.426 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -150.27 174.27 13.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.651 -0.656 . . . . 0.0 110.208 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.85 152.7 19.15 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -70.49 -35.54 73.31 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.582 -0.952 . . . . 0.0 110.098 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -105.18 25.25 10.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.68 -0.638 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.32 57.88 5.79 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.354 -0.841 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -132.41 23.26 4.4 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.385 -0.822 . . . . 0.0 110.667 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 m -133.26 97.31 3.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.262 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 t60 -60.83 121.72 13.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.483 -0.761 . . . . 0.0 110.095 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -61.09 -73.38 0.1 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.507 -0.746 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t0 52.64 62.43 2.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.35 -0.844 . . . . 0.0 110.738 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.99 121.28 12.02 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.591 -0.693 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.32 -81.47 0.04 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -167.73 -71.57 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.62 -0.929 . . . . 0.0 110.213 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.229 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.081 0.467 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 55.54 -86.53 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.709 -0.619 . . . . 0.0 110.991 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.04 159.11 30.78 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -110.58 109.69 20.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.958 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -125.18 -41.82 2.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.498 -0.751 . . . . 0.0 110.174 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.5 t -66.82 -20.53 65.95 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.576 -0.703 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.94 49.66 1.82 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.384 -0.822 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.7 m -150.27 21.37 0.85 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.529 -0.732 . . . . 0.0 110.586 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 12.7 p 48.91 51.25 10.56 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.421 -0.799 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 53' ' ' SER . 49.4 Cg_endo -74.62 -48.8 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.055 0 O-C-N 123.192 1.101 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.8 m -82.86 162.6 21.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -138.31 -161.72 1.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.465 -0.772 . . . . 0.0 110.661 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 62.3 m-80 53.29 46.36 26.59 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.629 -0.669 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.08 27.83 63.04 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.86 136.39 27.34 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -89.74 103.72 16.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.515 -0.991 . . . . 0.0 109.86 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.53 150.7 22.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.643 -0.661 . . . . 0.0 110.422 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.52 138.47 34.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.736 -0.603 . . . . 0.0 109.75 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -81.79 119.68 24.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.72 . . . . 0.0 110.38 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.59 -166.05 1.53 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.686 -0.634 . . . . 0.0 110.09 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.4 155.34 34.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.169 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 56.51 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.671 -0.643 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 m -106.03 -157.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 110.346 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -120.2 -170.4 1.96 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -147.35 140.14 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.415 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 m -126.05 120.09 29.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.621 -0.674 . . . . 0.0 110.637 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 95.7 m-85 -97.39 105.11 17.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.597 -0.689 . . . . 0.0 109.433 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.1 m -111.5 -170.79 1.71 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.575 -0.703 . . . . 0.0 110.595 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.64 162.93 40.55 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.47 -16.84 52.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.33 1.174 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.45 18.64 9.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 31.1 m-85 -132.41 135.96 46.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.358 -0.839 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -135.86 -168.54 2.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.656 -0.653 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.9 156.22 20.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -59.44 -26.17 64.97 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.467 -1.019 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -132.54 40.3 3.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.517 -0.739 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 45.7 m 50.68 31.26 5.63 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.279 -0.888 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -95.21 18.41 12.38 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.573 -0.704 . . . . 0.0 110.93 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.95 142.04 36.4 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.287 -0.883 . . . . 0.0 110.723 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 68.9 m80 -94.08 121.53 35.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.677 -0.64 . . . . 0.0 109.917 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -63.36 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.388 -0.82 . . . . 0.0 110.054 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -72.22 73.85 0.95 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.558 -0.714 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -80.13 -29.8 38.96 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.59 -138.64 7.05 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.7 p -141.08 148.64 40.49 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.537 -0.978 . . . . 0.0 110.212 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.198 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.048 0.452 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.47 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.679 -0.638 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.11 113.84 0.63 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.34 143.5 32.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.536 -0.979 . . . . 0.0 110.213 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -138.98 27.63 2.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.6 -0.687 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.17 -16.91 13.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.699 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.5 -19.97 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.241 -0.912 . . . . 0.0 110.997 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -89.54 13.49 13.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.272 -0.892 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m 50.47 55.12 16.46 Favored Pre-proline 0 N--CA 1.502 2.145 0 O-C-N 121.071 -1.018 . . . . 0.0 111.063 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.07 -27.66 13.72 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.293 1.154 . . . . 0.0 110.484 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.9 m -87.16 172.2 10.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.521 -0.737 . . . . 0.0 110.055 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -165.47 2.11 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 111.068 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 53.41 24.35 3.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.678 -0.639 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 28.94 64.69 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.25 162.99 27.23 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.62 106.31 18.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.566 -0.961 . . . . 0.0 109.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.61 155.83 18.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.646 -0.659 . . . . 0.0 110.687 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -150.01 139.0 21.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.735 -0.603 . . . . 0.0 109.845 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.41 134.55 37.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.0 110.094 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.39 -169.18 2.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.648 -0.658 . . . . 0.0 110.168 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 153.16 40.48 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 110.217 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 56.45 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.673 -0.642 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -107.65 -160.8 0.75 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 110.222 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -114.5 -169.89 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.597 -0.69 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 tt -150.11 124.93 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.706 -0.621 . . . . 0.0 110.413 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.7 m -116.63 126.46 53.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.549 -0.72 . . . . 0.0 110.81 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.87 105.37 17.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.653 -0.654 . . . . 0.0 109.253 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.1 m -70.43 172.6 8.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.544 -0.723 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -84.65 168.83 18.9 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.63 -24.21 48.44 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 O-C-N 123.3 1.158 . . . . 0.0 110.478 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.63 23.98 11.18 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.148 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.7 m-85 -135.66 166.27 23.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.399 -0.813 . . . . 0.0 110.276 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -150.09 178.97 8.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.582 -0.698 . . . . 0.0 110.223 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.23 147.48 16.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -61.43 -38.89 88.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.571 -0.958 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -103.56 25.73 9.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.583 -0.698 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.98 48.57 22.11 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.431 -0.793 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -114.45 22.25 13.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.466 -0.771 . . . . 0.0 110.661 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -125.45 149.5 48.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.368 -0.832 . . . . 0.0 110.17 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -115.3 86.26 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.603 -0.686 . . . . 0.0 110.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -82.86 -54.19 5.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 t70 52.83 36.69 22.14 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.438 -0.789 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -109.47 -67.11 1.01 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.583 -0.698 . . . . 0.0 110.165 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.41 -112.77 0.54 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p -85.35 177.07 7.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.555 -0.968 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.242 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.026 0.441 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -103.45 51.76 0.78 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.631 -0.668 . . . . 0.0 110.164 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.19 30.26 4.6 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -111.74 28.7 8.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.521 -0.988 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -92.75 -28.87 16.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.239 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 t -108.74 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.528 -0.732 . . . . 0.0 110.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.04 -25.78 34.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.718 . . . . 0.0 110.509 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -94.13 18.05 11.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.505 -0.747 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.0 m 50.96 67.22 4.52 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.173 -0.954 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CB ' ' CZ ' ' A' ' 68' ' ' TYR . 46.8 Cg_endo -73.12 -43.23 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.271 1.143 . . . . 0.0 110.448 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.0 m -68.43 132.61 47.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.616 -0.677 . . . . 0.0 109.685 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -132.18 -170.39 2.41 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.455 -0.778 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 53.67 45.79 27.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.52 -0.737 . . . . 0.0 110.974 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.07 28.28 66.19 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.97 150.82 22.49 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -89.92 156.51 18.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.947 . . . . 0.0 109.953 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.96 143.72 49.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.507 -0.745 . . . . 0.0 110.613 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -138.64 129.61 26.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.749 -0.595 . . . . 0.0 109.915 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.86 123.61 26.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.373 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -128.3 -178.65 4.64 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.614 -0.679 . . . . 0.0 110.09 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -61.43 153.81 26.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.704 . . . . 0.0 110.085 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 55.88 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.693 -0.63 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -107.46 -158.64 0.66 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.122 -0.987 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CZ ' ' CB ' ' A' ' 54' ' ' PRO . 50.8 p90 -118.8 -169.86 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.601 -0.687 . . . . 0.0 110.276 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 tt -149.84 129.09 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.872 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.1 m -96.95 125.98 41.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.667 -0.646 . . . . 0.0 110.053 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.75 105.9 18.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.484 -0.76 . . . . 0.0 109.365 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.8 m -85.79 170.87 12.03 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.598 -0.689 . . . . 0.0 110.636 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.76 170.8 10.86 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -64.99 -15.01 48.45 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 O-C-N 123.169 1.089 . . . . 0.0 110.735 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.83 27.77 8.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.345 -0.847 . . . . 0.0 109.946 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' NE2' ' A' ' 84' ' ' HIS . 32.1 m-85 -137.4 164.53 28.42 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.51 -0.744 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.17 172.93 14.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.662 . . . . 0.0 110.127 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.67 25.76 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -88.19 -39.45 14.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.947 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -105.64 27.89 8.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.758 . . . . 0.0 110.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.66 26.57 11.39 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.436 -0.79 . . . . 0.0 110.284 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 -21.08 56.62 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.616 -0.677 . . . . 0.0 110.891 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -96.61 155.24 16.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.389 -0.819 . . . . 0.0 110.763 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.4 ' NE2' ' CE2' ' A' ' 76' ' ' PHE . 28.9 m80 -113.72 152.39 30.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.716 -0.615 . . . . 0.0 109.806 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -134.74 91.65 2.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.377 -0.827 . . . . 0.0 110.234 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -152.16 65.62 0.84 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t0 52.91 -179.68 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.1 -144.08 5.79 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t 52.8 78.68 0.13 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -1.035 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.186 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.067 0.46 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 141.69 36.3 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.601 -0.687 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.17 116.54 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.68 -70.6 0.76 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.941 . . . . 0.0 110.202 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 52.62 26.47 4.39 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.467 -0.771 . . . . 0.0 110.816 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.23 -8.46 11.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.542 -0.724 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.83 21.88 3.89 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.12 -0.987 . . . . 0.0 111.057 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -120.0 22.4 11.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.232 -0.918 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.7 m 50.58 52.56 12.57 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.273 -0.892 . . . . 0.0 110.977 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 68' ' ' TYR . 47.5 Cg_endo -73.9 -35.56 4.25 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.294 1.155 . . . . 0.0 110.522 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -73.25 143.75 46.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.506 -0.746 . . . . 0.0 109.94 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -121.93 179.04 4.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.538 -0.726 . . . . 0.0 110.47 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 77.8 m-20 52.68 46.88 25.86 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.483 -0.761 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.7 31.95 77.13 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.2 143.2 28.25 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -89.92 122.21 32.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.638 -0.919 . . . . 0.0 109.939 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.94 143.59 26.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.581 -0.699 . . . . 0.0 110.494 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -142.33 139.96 31.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.761 -0.587 . . . . 0.0 109.835 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.16 126.32 29.78 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.609 -0.682 . . . . 0.0 110.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -129.31 -168.89 2.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.623 -0.673 . . . . 0.0 110.116 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.69 122.56 15.06 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 57.08 -85.07 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.787 -0.57 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 m -75.78 -157.67 0.08 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.196 -0.94 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 54' ' ' PRO . 48.4 p90 -130.13 -169.42 2.13 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.559 -0.713 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -146.48 136.36 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -102.89 111.69 24.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.84 98.38 11.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.553 -0.717 . . . . 0.0 109.647 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.2 -168.98 1.38 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.684 -0.635 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.31 162.48 42.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.096 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.28 -16.32 48.0 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.325 1.171 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.04 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 110.802 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 32.2 m-85 -122.25 154.19 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.21 -0.931 . . . . 0.0 110.241 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 -177.62 5.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.563 -0.711 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.96 153.29 11.4 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.0 -31.09 70.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.608 -0.936 . . . . 0.0 110.103 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -128.89 40.73 3.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.606 -0.684 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.8 m 53.48 48.38 21.93 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.397 -0.814 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -116.93 24.94 10.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.531 -0.73 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.1 m -141.03 105.38 4.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.492 -0.755 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.471 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.8 t-160 -77.53 113.61 15.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.571 -0.706 . . . . 0.0 110.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -81.49 79.72 8.03 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.558 -0.714 . . . . 0.0 110.156 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.89 91.36 8.33 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.571 -0.706 . . . . 0.0 110.153 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.36 30.07 4.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.606 -0.683 . . . . 0.0 110.25 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.34 53.27 0.74 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.8 p 50.31 -160.05 0.07 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.602 -0.94 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.759 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.002 0.43 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 t -139.8 32.48 2.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.583 -0.698 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.03 21.14 4.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.48 -0.763 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 p -139.1 27.11 2.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.318 -0.864 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 m 51.98 65.19 6.61 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.306 -0.871 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.1 -31.79 9.25 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.251 1.132 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.36 160.55 14.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.646 -0.659 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -134.99 -164.55 1.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.548 -0.72 . . . . 0.0 110.802 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 54.4 m-20 53.77 47.14 24.34 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.594 -0.691 . . . . 0.0 110.979 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.96 63.31 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.94 133.21 31.54 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.4 m -89.74 102.1 14.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.983 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.9 t -89.68 147.74 23.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.773 -0.579 . . . . 0.0 110.545 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.01 135.59 34.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.734 -0.604 . . . . 0.0 110.002 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 119.69 16.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 110.24 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -126.89 -178.76 4.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.593 -0.692 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 148.95 41.05 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 56.55 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.701 -0.625 . . . . 0.0 110.76 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 m -103.4 -159.48 0.72 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.072 -1.018 . . . . 0.0 110.177 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -120.52 -169.93 1.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.544 -0.723 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 2.7 tt -147.02 137.71 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.666 -0.646 . . . . 0.0 110.409 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 m -118.45 118.77 32.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.4 m-85 -94.53 107.71 19.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.694 -0.629 . . . . 0.0 109.533 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 78.4 m -113.58 -170.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.657 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.31 163.14 19.77 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.665 -0.647 . . . . 0.0 110.144 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.73 -15.29 46.96 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 O-C-N 123.291 1.153 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.98 15.32 11.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.682 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -131.46 142.67 50.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -136.91 -168.3 2.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.616 -0.678 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.36 159.14 18.51 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -28.24 67.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.995 . . . . 0.0 110.191 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -138.19 46.54 2.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.604 -0.685 . . . . 0.0 109.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.65 27.53 5.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.472 -0.767 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.87 17.17 10.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.645 -0.659 . . . . 0.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 m -140.64 127.45 20.49 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.408 -0.808 . . . . 0.0 110.25 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 6.6 t60 -84.96 128.71 34.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.597 -0.689 . . . . 0.0 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 10.5 mt-30 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -158.35 57.07 0.46 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.591 -0.693 . . . . 0.0 109.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.18 19.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 110.728 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.07 -76.33 0.58 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.487 -0.758 . . . . 0.0 110.441 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 p -174.65 79.61 0.34 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 0.0 110.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.35 -28.95 11.81 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 O-C-N 123.324 1.171 . . . . 0.0 110.363 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.5 m -65.49 172.59 3.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.541 -0.724 . . . . 0.0 109.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -125.83 177.84 6.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.452 -0.78 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 53.04 29.34 7.88 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.505 -0.747 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.92 29.0 71.23 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.42 170.65 30.6 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -95.0 118.75 32.36 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.572 -0.958 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.97 138.89 31.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.618 -0.676 . . . . 0.0 110.477 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.1 mttp -128.16 122.97 33.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.633 -0.667 . . . . 0.0 109.745 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.39 92.48 5.21 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.619 -0.676 . . . . 0.0 110.176 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.91 -169.14 2.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.545 -0.722 . . . . 0.0 110.215 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.24 146.57 48.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 56.67 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.713 -0.617 . . . . 0.0 110.788 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 p -93.23 -157.48 0.54 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.098 -1.001 . . . . 0.0 110.181 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 44.3 p90 -132.04 -171.09 2.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.738 . . . . 0.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' ILE . 2.9 tt -148.74 122.4 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -95.75 121.15 37.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.592 -0.693 . . . . 0.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -89.79 106.47 18.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.73 . . . . 0.0 109.528 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.1 m -77.39 164.81 25.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.624 -0.672 . . . . 0.0 110.545 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -78.0 169.75 19.45 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.707 -0.621 . . . . 0.0 109.677 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 40.2 Cg_endo -65.87 -20.7 58.18 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 O-C-N 123.256 1.135 . . . . 0.0 110.408 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.69 27.5 9.6 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 109.977 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 41.1 m-85 -138.72 160.02 40.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.493 -0.754 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -150.15 -169.81 3.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.716 -0.615 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.65 151.69 17.01 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -60.35 -26.41 66.57 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.971 . . . . 0.0 110.477 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -124.44 28.58 6.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.403 -0.811 . . . . 0.0 110.238 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 55.71 47.84 19.66 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.411 -0.805 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -118.5 25.23 10.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.656 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.6 m -140.38 147.08 39.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.78 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -91.58 136.67 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.62 -0.675 . . . . 0.0 110.043 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.552 -0.718 . . . . 0.0 110.206 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.099 0.476 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 33.6 t -101.53 26.2 7.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.531 -0.731 . . . . 0.0 110.22 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.94 28.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.378 -0.826 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -114.23 25.28 11.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.555 -0.715 . . . . 0.0 110.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m 51.51 77.72 0.44 Allowed Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.364 -0.835 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 47.1 Cg_endo -72.65 -27.87 14.75 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 O-C-N 123.345 1.182 . . . . 0.0 110.464 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.54 -178.47 0.19 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.526 -0.734 . . . . 0.0 109.66 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -146.56 176.83 9.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.478 -0.764 . . . . 0.0 110.567 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 52.94 33.81 15.43 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.467 -0.77 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.55 28.92 70.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.46 171.8 28.56 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.0 115.82 28.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.938 . . . . 0.0 110.124 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.2 t -89.95 126.09 35.61 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.704 -0.623 . . . . 0.0 110.389 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 mptm? -119.61 144.07 47.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.72 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 108.33 21.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.551 -0.718 . . . . 0.0 110.379 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -90.01 -167.36 1.82 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.525 -0.734 . . . . 0.0 109.971 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.23 -67.95 0.66 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.441 -0.787 . . . . 0.0 110.903 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -66.36 -69.24 0.31 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.523 -0.736 . . . . 0.0 110.714 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -118.19 -151.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -112.36 -176.19 2.86 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.442 -0.787 . . . . 0.0 110.072 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 69' ' ' ILE . 2.9 tt -150.4 119.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.606 -0.683 . . . . 0.0 110.691 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.7 m -96.67 118.4 33.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.516 -0.74 . . . . 0.0 110.112 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 39.3 m-85 -89.61 112.53 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.542 -0.724 . . . . 0.0 109.479 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.7 m -89.46 -179.34 5.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 110.425 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 3.3 mt -91.88 169.4 11.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.667 -0.646 . . . . 0.0 109.763 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD23 ' A' ' 73' ' ' LEU . 41.2 Cg_endo -66.76 -14.46 43.92 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.309 1.163 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.35 24.26 12.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.229 -0.919 . . . . 0.0 110.299 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -132.91 165.95 23.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.447 -0.783 . . . . 0.0 110.507 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.11 178.64 8.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.668 . . . . 0.0 110.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.47 163.81 20.85 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -77.51 -23.81 50.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.621 -0.929 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -119.83 26.46 9.31 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.398 -0.814 . . . . 0.0 110.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.5 m 54.03 42.25 31.7 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.362 -0.836 . . . . 0.0 110.512 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.27 -18.89 13.98 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.563 -0.711 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -86.59 149.23 25.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -113.51 112.77 24.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.591 -0.693 . . . . 0.0 110.132 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.604 HE21 ' N ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.01 0.433 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 27.1 8.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.479 -0.763 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -27.56 19.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.685 . . . . 0.0 110.47 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -112.22 26.57 10.45 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.511 -0.743 . . . . 0.0 110.532 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 p 46.18 80.04 0.31 Allowed Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.619 -0.676 . . . . 0.0 111.511 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.53 -27.05 16.06 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.31 1.163 . . . . 0.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.0 m -97.58 -178.45 4.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.499 -0.751 . . . . 0.0 110.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.89 -166.25 1.64 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.516 -0.74 . . . . 0.0 110.765 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' CE1' ' A' ' 76' ' ' PHE . 69.1 m-80 54.25 30.02 11.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.482 -0.761 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.33 31.8 70.77 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.23 151.59 45.26 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 m -89.71 104.54 17.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.591 -0.947 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -89.54 118.7 29.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.706 . . . . 0.0 110.429 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -106.45 140.75 38.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.577 -0.702 . . . . 0.0 110.012 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.12 91.32 7.65 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.605 -0.685 . . . . 0.0 110.116 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -89.98 -169.01 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.654 -0.654 . . . . 0.0 110.133 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.06 148.08 46.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.564 -0.71 . . . . 0.0 110.198 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 56.62 -85.94 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.649 -0.657 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -95.27 -159.06 0.69 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.095 -1.003 . . . . 0.0 110.18 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 50.4 p90 -129.06 -170.46 2.28 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.408 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.08 141.84 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.653 -0.654 . . . . 0.0 110.491 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -114.23 109.41 18.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.5 -0.75 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 69.2 m-85 -90.46 99.83 12.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.94 -169.56 1.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.636 -0.665 . . . . 0.0 110.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.96 163.35 35.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.659 -0.651 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.84 -10.08 27.67 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.354 1.186 . . . . 0.0 111.347 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.28 -17.41 29.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.2 -0.938 . . . . 0.0 110.542 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' OD1' ' A' ' 57' ' ' ASN . 30.1 m-85 -97.61 159.36 14.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.333 -0.855 . . . . 0.0 110.302 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 179.18 8.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.542 -0.724 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.73 155.23 14.09 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.11 -38.83 87.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.532 -0.981 . . . . 0.0 110.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -114.81 33.12 5.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.611 -0.681 . . . . 0.0 110.019 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.6 m 53.49 52.79 12.68 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.359 -0.838 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.31 26.01 9.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.535 -0.728 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.2 m -137.29 118.37 14.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.523 -0.735 . . . . 0.0 110.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -85.24 89.89 7.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.493 -0.754 . . . . 0.0 110.252 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.933 0.397 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 32.0 t -103.07 27.17 7.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.516 -0.74 . . . . 0.0 110.081 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.08 -24.61 37.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.531 -0.731 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.73 19.93 10.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.412 -0.805 . . . . 0.0 110.735 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 51.41 71.28 1.56 Allowed Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -73.45 -45.15 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 123.368 1.194 . . . . 0.0 110.457 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -82.78 156.55 23.63 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.641 -0.662 . . . . 0.0 110.122 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -146.5 -155.64 0.64 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.722 . . . . 0.0 110.461 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 54.31 46.04 25.99 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.377 -0.827 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.43 28.49 64.87 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.02 141.49 19.31 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -89.85 140.59 29.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.545 -0.973 . . . . 0.0 109.829 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -118.79 156.9 28.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.524 -0.735 . . . . 0.0 110.557 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 141.73 24.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.668 -0.645 . . . . 0.0 109.853 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.71 140.34 35.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.529 -0.732 . . . . 0.0 110.203 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' A' ' 69' ' ' ILE . 26.7 mt-30 -144.05 -168.92 2.99 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.586 -0.696 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.71 148.24 38.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 56.49 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.641 -0.662 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -166.47 1.34 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.981 . . . . 0.0 110.221 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -114.71 -170.4 1.73 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.8 tt -150.26 137.69 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.649 -0.657 . . . . 0.0 110.387 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -120.94 143.04 49.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.553 -0.717 . . . . 0.0 110.632 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -111.64 104.48 12.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.635 -0.666 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 73.6 m -110.16 -171.92 1.93 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.573 -0.704 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.91 162.83 23.84 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.671 -0.643 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.39 -13.62 40.67 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 O-C-N 123.317 1.167 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HA ' ' HB2' ' A' ' 85' ' ' LYS . . . -91.97 17.02 9.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.612 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -134.17 154.4 51.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 110.674 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.713 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 tt0 -147.64 179.84 7.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.772 -0.58 . . . . 0.0 110.255 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.31 154.42 17.43 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -25.75 63.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.506 -0.996 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -128.57 29.1 5.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.7 m 52.91 53.46 12.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.433 -0.792 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.45 -23.09 15.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.662 -0.649 . . . . 0.0 110.908 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 77' ' ' GLU . 9.9 t -103.18 168.51 9.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.372 -0.83 . . . . 0.0 111.008 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -111.53 160.08 17.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 109.718 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.5 mtpp . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.464 -0.772 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.0 t -132.28 43.9 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.522 -0.736 . . . . 0.0 109.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.16 -26.1 36.3 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.55 -0.719 . . . . 0.0 110.495 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -115.79 24.47 11.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.466 -0.771 . . . . 0.0 110.652 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.0 t 51.11 84.85 0.2 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.244 -0.91 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 68' ' ' TYR . 46.7 Cg_endo -73.4 -28.38 12.29 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.417 1.219 . . . . 0.0 110.562 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.83 178.42 0.46 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.523 -0.735 . . . . 0.0 109.725 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.1 173.18 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.524 -0.735 . . . . 0.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 53.0 41.57 32.18 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.438 -0.789 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.79 69.65 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.33 163.81 41.94 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.03 115.17 26.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.969 . . . . 0.0 110.054 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.81 144.49 25.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.586 -0.696 . . . . 0.0 110.385 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.04 124.68 16.85 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.675 -0.64 . . . . 0.0 110.04 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.08 120.13 16.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.654 -0.654 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.8 -172.47 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.687 -0.633 . . . . 0.0 110.186 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -61.23 138.1 58.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.556 -0.715 . . . . 0.0 110.191 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 56.53 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.659 -0.65 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -91.15 -158.12 0.54 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.04 -1.037 . . . . 0.0 110.247 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CE2' ' CG ' ' A' ' 54' ' ' PRO . 48.4 p90 -129.46 -168.64 1.97 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.0 110.376 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -147.08 134.15 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.668 -0.645 . . . . 0.0 110.718 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.9 m -102.88 117.47 34.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.599 -0.688 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -89.89 94.0 9.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.512 -0.743 . . . . 0.0 109.514 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.4 m -71.45 175.56 5.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.65 . . . . 0.0 110.382 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.5 mt -82.76 170.51 14.38 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.779 -0.576 . . . . 0.0 109.663 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 39.8 Cg_endo -65.96 -21.99 56.15 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 O-C-N 123.196 1.103 . . . . 0.0 110.468 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.83 25.92 10.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.417 -0.802 . . . . 0.0 109.991 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 34.9 m-85 -135.47 162.08 33.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.532 -0.73 . . . . 0.0 110.2 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -150.16 175.18 11.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.559 -0.713 . . . . 0.0 110.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.46 154.28 18.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.4 -43.79 97.99 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.609 -0.936 . . . . 0.0 110.089 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -104.92 27.83 7.74 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.672 . . . . 0.0 110.089 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.1 m 55.55 47.34 21.08 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.448 -0.783 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.04 25.28 11.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.592 -0.693 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -133.17 85.89 2.25 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.521 -0.737 . . . . 0.0 110.193 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -61.96 119.93 9.8 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.606 -0.684 . . . . 0.0 110.106 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.529 -0.732 . . . . 0.0 110.222 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 120.982 0.42 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.2 t -112.07 32.02 5.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.528 -0.732 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.91 -24.61 30.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.56 -0.713 . . . . 0.0 110.602 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -95.38 19.34 10.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.436 -0.79 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 51.07 72.99 1.06 Allowed Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.254 -0.904 . . . . 0.0 111.002 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.81 -40.62 1.34 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 O-C-N 123.338 1.178 . . . . 0.0 110.401 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.0 m -87.02 172.35 10.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.564 -0.71 . . . . 0.0 110.334 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -157.33 -159.16 0.82 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.556 -0.715 . . . . 0.0 110.296 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 94.0 m-20 53.53 48.04 22.63 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.415 -0.803 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.75 29.84 71.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.53 133.08 12.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -89.87 104.38 16.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.611 -0.935 . . . . 0.0 110.058 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -89.78 151.82 21.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.557 -0.714 . . . . 0.0 110.584 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.8 149.79 35.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.661 -0.649 . . . . 0.0 109.921 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.92 122.8 28.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.637 -0.664 . . . . 0.0 110.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -109.68 -167.72 1.24 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.574 -0.704 . . . . 0.0 110.081 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 65' ' ' LEU . 2.0 mm? -57.12 -75.19 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.484 -0.76 . . . . 0.0 110.856 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -90.12 -77.12 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.41 -0.806 . . . . 0.0 110.547 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.7 p -83.39 -161.61 0.53 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 110.17 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.94 -171.9 1.95 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.61 -0.681 . . . . 0.0 110.155 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.12 135.87 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.6 m -119.1 120.14 36.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.62 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.6 m-85 -96.01 110.21 22.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.709 -0.619 . . . . 0.0 109.748 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.84 -173.47 2.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.472 -0.767 . . . . 0.0 110.482 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.81 164.2 37.9 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.665 -0.647 . . . . 0.0 110.26 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.44 -15.76 46.1 Favored 'Trans proline' 0 C--N 1.318 -1.06 0 O-C-N 123.384 1.202 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.81 12.9 15.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 0.0 110.679 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -124.74 148.36 48.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -140.6 172.61 12.47 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.634 -0.666 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.44 171.51 17.21 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -83.12 -28.92 29.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.581 -0.953 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -119.58 29.11 7.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.562 -0.711 . . . . 0.0 110.14 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.7 m 53.1 53.96 11.11 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.505 -0.747 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 2.2 pm0 -107.66 -19.29 13.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.532 -0.73 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 m -95.89 144.36 26.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 0.0 110.266 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -114.43 99.36 7.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.54 -0.725 . . . . 0.0 110.183 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.087 0.47 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -130.62 42.5 3.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.539 -0.726 . . . . 0.0 110.009 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.31 -27.3 29.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.615 -0.678 . . . . 0.0 110.507 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.56 21.89 11.9 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.441 -0.787 . . . . 0.0 110.73 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m 50.71 83.05 0.23 Allowed Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.169 -0.957 . . . . 0.0 111.025 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.88 -26.74 15.24 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.375 1.198 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.24 163.47 6.33 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.512 -0.743 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -139.48 177.73 7.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.506 -0.747 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 53.05 46.43 26.74 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.41 -0.806 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.35 31.94 75.53 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.21 149.02 36.78 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 m -89.84 122.81 33.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.91 . . . . 0.0 109.846 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.98 133.81 34.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.572 -0.705 . . . . 0.0 110.572 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -128.39 124.5 36.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.651 -0.655 . . . . 0.0 109.724 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 89.84 5.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.58 -0.7 . . . . 0.0 110.109 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -90.03 -169.06 2.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.565 -0.709 . . . . 0.0 110.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.65 146.83 51.35 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.509 -0.745 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 56.35 -86.13 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.707 -0.621 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -157.87 0.6 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.169 -0.957 . . . . 0.0 110.135 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -129.33 -170.82 2.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.483 -0.761 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -148.44 131.09 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.699 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.6 m -97.89 108.96 21.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.567 -0.708 . . . . 0.0 110.209 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -89.81 112.47 23.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.509 -0.745 . . . . 0.0 109.738 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.1 m -123.14 -169.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.557 -0.715 . . . . 0.0 110.617 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.51 163.34 47.56 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.728 -0.608 . . . . 0.0 110.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 -10.25 28.14 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.39 1.205 . . . . 0.0 111.354 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.35 -17.54 28.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.0 110.561 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 36.0 m-85 -101.64 155.51 18.06 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.94 174.59 12.52 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.263 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.57 160.41 13.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -60.82 -45.18 95.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.488 -1.007 . . . . 0.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -108.7 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.598 -0.689 . . . . 0.0 109.958 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.7 m 53.81 54.68 9.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.46 -0.775 . . . . 0.0 110.69 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.42 25.05 10.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.547 -0.721 . . . . 0.0 110.419 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.0 m -135.83 117.52 15.0 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.52 -0.737 . . . . 0.0 110.108 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 t60 -81.68 89.97 6.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.537 -0.727 . . . . 0.0 110.196 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.139 0.495 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.9 t -111.24 31.47 6.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.523 -0.736 . . . . 0.0 109.939 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.46 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.551 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.4 p -91.99 16.6 10.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t 51.04 71.93 1.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.61 -47.95 0.27 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.24 1.126 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.66 160.65 22.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.573 -0.704 . . . . 0.0 110.165 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -147.78 -154.19 0.54 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.483 -0.76 . . . . 0.0 110.525 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 54.5 43.7 29.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.397 -0.814 . . . . 0.0 110.96 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.26 29.14 65.39 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.39 146.51 21.77 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -89.79 144.54 25.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 109.852 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.95 157.71 33.71 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.593 -0.692 . . . . 0.0 110.554 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -150.03 170.89 17.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.63 -0.669 . . . . 0.0 109.855 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.85 127.91 54.14 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.576 -0.703 . . . . 0.0 110.339 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -111.28 -168.2 1.28 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.551 -0.718 . . . . 0.0 110.153 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.21 -77.35 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.7 -76.97 0.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.467 -0.771 . . . . 0.0 110.37 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -87.7 -158.27 0.45 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.083 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -115.77 -170.77 1.85 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.596 -0.69 . . . . 0.0 110.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.11 139.5 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.52 143.48 46.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.532 -0.73 . . . . 0.0 110.727 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -118.37 103.07 9.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.73 -0.606 . . . . 0.0 109.701 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.62 -170.04 1.57 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.493 -0.754 . . . . 0.0 110.467 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.47 164.63 34.39 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.42 -18.11 49.37 Favored 'Trans proline' 0 C--N 1.317 -1.13 0 O-C-N 123.337 1.177 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.97 14.07 13.14 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -127.59 140.53 52.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.206 -0.934 . . . . 0.0 110.243 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -135.39 -177.8 4.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.667 -0.646 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.53 153.88 13.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.89 -31.84 71.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.566 -0.961 . . . . 0.0 110.1 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.93 35.24 4.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.644 -0.66 . . . . 0.0 110.03 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m 52.89 38.51 27.09 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.415 -0.803 . . . . 0.0 110.731 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -108.34 25.16 11.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.72 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.6 m -136.99 91.54 2.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.508 -0.745 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.7 t60 -61.77 116.97 5.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.554 -0.717 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.7 mttt . . . . . 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 110.291 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 11.0 mt-30 . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.992 0.425 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.6 m -113.31 32.43 5.76 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.626 -0.671 . . . . 0.0 110.05 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.37 -44.27 37.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.669 -0.644 . . . . 0.0 110.373 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -100.85 22.97 11.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.562 -0.712 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t 50.91 79.69 0.33 Allowed Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 121.272 -0.892 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.82 -28.55 13.44 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.296 1.156 . . . . 0.0 110.399 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.64 172.3 1.28 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.553 -0.717 . . . . 0.0 109.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -128.38 175.58 8.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.469 -0.769 . . . . 0.0 110.262 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 52.6 35.23 17.55 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.449 -0.782 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.88 30.13 76.27 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.15 156.15 53.55 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -91.33 119.32 31.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.586 -0.949 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.8 t -89.98 127.04 35.96 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.585 -0.697 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -115.39 142.03 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.554 -0.717 . . . . 0.0 110.183 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.47 112.48 21.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.573 -0.704 . . . . 0.0 110.169 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -112.87 -169.16 1.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.608 -0.683 . . . . 0.0 110.214 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' NE2' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -68.64 146.31 53.14 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.502 -0.749 . . . . 0.0 110.056 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.611 ' NE2' HD12 ' A' ' 65' ' ' LEU . 1.5 mp0 56.96 -85.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.585 -0.697 . . . . 0.0 110.715 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -98.49 -159.43 0.74 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 110.199 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 51.6 p90 -124.47 -168.03 1.74 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.64 -0.662 . . . . 0.0 110.335 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -149.4 146.37 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.642 . . . . 0.0 110.559 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 m -108.63 121.07 44.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.535 -0.728 . . . . 0.0 110.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -89.71 100.68 13.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.92 -178.6 6.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 110.439 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.6 mt -94.24 170.11 8.77 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.711 -0.618 . . . . 0.0 109.807 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.35 -18.8 55.74 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.273 1.144 . . . . 0.0 110.707 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.42 24.15 13.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.198 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.6 m-85 -135.04 168.14 19.66 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.507 -0.745 . . . . 0.0 110.208 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.17 173.41 13.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.63 147.77 13.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -61.09 -41.43 96.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.948 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.89 28.98 7.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.59 -0.694 . . . . 0.0 110.026 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m 55.84 48.47 18.07 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.419 -0.8 . . . . 0.0 110.334 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.69 22.01 15.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.1 m -137.63 103.36 5.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 t-160 -76.48 119.68 20.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.65 -0.656 . . . . 0.0 110.157 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.532 -0.73 . . . . 0.0 110.299 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.172 0.51 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.97 27.37 8.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.505 -0.747 . . . . 0.0 110.191 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.81 18.75 6.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.496 -0.753 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 m -137.07 25.42 3.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.256 -0.903 . . . . 0.0 110.442 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m 51.8 61.26 12.72 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 111.005 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.58 -22.82 20.54 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.191 1.1 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.63 156.72 16.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.329 -0.857 . . . . 0.0 109.812 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.23 169.75 9.97 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.525 -0.734 . . . . 0.0 110.404 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 52.11 44.16 29.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.473 -0.767 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.95 75.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.63 150.26 51.82 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -90.08 131.77 35.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.588 -0.948 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 t -89.86 142.81 27.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.666 -0.646 . . . . 0.0 109.671 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -145.68 134.72 22.67 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -81.31 143.68 32.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.594 -0.692 . . . . 0.0 110.478 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -150.05 -169.07 3.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.5 mm? -78.98 160.26 27.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.583 -0.698 . . . . 0.0 110.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 56.89 -85.55 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.632 -0.667 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.2 p -112.0 -157.58 0.62 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.098 -1.001 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.12 -174.55 2.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.52 -0.737 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 139.01 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.762 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 m -109.28 122.24 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.628 -0.67 . . . . 0.0 110.217 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 22.3 m-85 -89.66 94.16 9.74 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 109.687 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.15 179.31 0.57 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.625 -0.672 . . . . 0.0 110.304 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -85.0 169.96 14.85 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.673 -0.642 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.23 -20.6 55.79 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.212 1.111 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.16 24.87 12.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.451 -0.781 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -135.2 164.18 28.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -150.17 175.83 11.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.535 -0.728 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.68 152.22 19.02 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -61.41 -44.02 97.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.654 -0.909 . . . . 0.0 110.042 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -104.3 27.8 7.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.672 -0.643 . . . . 0.0 109.912 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.2 m 55.66 46.81 21.94 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.471 -0.768 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.71 23.4 14.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.71 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -134.69 111.3 9.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.445 -0.784 . . . . 0.0 110.171 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -81.57 116.8 21.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.566 -0.709 . . . . 0.0 110.112 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 0.0 110.202 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mp0 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.193 0.521 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -118.5 37.25 4.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.577 -0.702 . . . . 0.0 109.682 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.44 -17.12 54.93 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.726 -0.609 . . . . 0.0 111.032 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -111.05 -77.34 0.59 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.29 -0.881 . . . . 0.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t 178.0 68.58 0.1 Allowed Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.298 -0.876 . . . . 0.0 110.356 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.38 -25.34 15.52 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 O-C-N 123.192 1.101 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 66.8 m -60.26 155.86 16.75 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.493 -0.754 . . . . 0.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 173.23 8.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.544 -0.722 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.02 41.21 32.15 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.468 -0.77 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.91 29.82 73.55 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.52 52.93 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.8 m -90.84 133.17 35.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.551 -0.97 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.77 142.57 27.56 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.6 -0.688 . . . . 0.0 109.948 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -147.62 129.44 15.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.762 -0.586 . . . . 0.0 109.48 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.46 146.52 46.84 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.557 -0.715 . . . . 0.0 110.347 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -145.38 -169.02 3.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.567 -0.708 . . . . 0.0 110.013 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.44 115.74 4.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.504 -0.748 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 56.54 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.677 -0.64 . . . . 0.0 110.746 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -62.33 -157.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.977 . . . . 0.0 110.215 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 26.7 p90 -141.15 -173.94 3.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.467 -0.771 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 62' ' ' LYS . 3.1 tt -150.16 141.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.571 -0.706 . . . . 0.0 110.669 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.2 m -109.99 117.19 33.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.576 -0.702 . . . . 0.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 42.4 m-85 -89.9 121.07 31.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.449 -0.782 . . . . 0.0 109.908 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.2 m -130.02 -167.78 1.86 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.468 -0.77 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.7 mp -79.89 162.13 63.51 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.693 -0.63 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.87 -17.16 51.59 Favored 'Trans proline' 0 C--N 1.316 -1.147 0 O-C-N 123.292 1.154 . . . . 0.0 110.73 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 17.48 10.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 23.5 m-85 -125.06 151.63 45.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.264 -0.897 . . . . 0.0 110.488 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.02 178.43 8.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.61 -0.681 . . . . 0.0 110.074 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.85 156.84 11.05 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -61.06 -28.12 68.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.977 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -131.15 38.13 3.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.568 -0.708 . . . . 0.0 110.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.7 m 53.15 43.55 31.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.408 -0.807 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.24 23.77 13.65 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.566 -0.709 . . . . 0.0 110.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.2 m -144.34 110.55 5.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.47 -0.769 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 72.7 m80 -68.43 168.94 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.548 -0.72 . . . . 0.0 109.813 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.72 . . . . 0.0 110.239 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.083 0.468 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -138.86 29.36 2.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.592 -0.692 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.86 20.87 4.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.55 -0.719 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 p -132.73 25.62 4.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 t 51.58 57.36 16.53 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.348 -0.845 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.64 -28.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.284 1.15 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.0 m -104.86 171.33 7.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.161 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.28 -158.76 0.82 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.99 43.34 30.95 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.401 -0.812 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.95 28.68 66.49 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.63 135.21 15.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.81 111.12 22.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.961 . . . . 0.0 110.033 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.3 t -89.82 156.02 18.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.592 -0.692 . . . . 0.0 110.499 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.66 133.79 17.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.645 -0.659 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.33 122.63 19.95 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.507 -0.746 . . . . 0.0 110.214 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -126.37 -169.29 1.99 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.602 -0.686 . . . . 0.0 110.178 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.57 141.76 56.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.213 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 56.38 -86.18 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.692 -0.63 . . . . 0.0 110.728 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.4 m -94.61 -159.09 0.68 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 110.068 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -124.97 -169.94 2.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -145.25 143.72 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.694 -0.629 . . . . 0.0 110.415 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m -129.78 122.82 29.57 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.598 -0.689 . . . . 0.0 110.761 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.99 94.44 9.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.636 -0.665 . . . . 0.0 109.432 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.93 176.4 1.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.58 -0.7 . . . . 0.0 110.18 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.1 mt -84.36 169.14 17.71 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.737 -0.602 . . . . 0.0 109.962 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.63 -24.0 48.68 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.306 1.161 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.46 23.99 11.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.466 -0.771 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 50.6 m-85 -136.97 163.97 29.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.486 -0.759 . . . . 0.0 110.27 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -150.05 179.61 7.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.547 -0.721 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.62 150.63 17.81 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.44 -40.75 95.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.55 -0.971 . . . . 0.0 110.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.37 27.3 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.585 -0.697 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.97 49.04 19.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.444 -0.785 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.41 24.96 10.97 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.478 -0.764 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -133.39 119.03 19.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.473 -0.767 . . . . 0.0 110.296 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.403 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 6.7 t-80 -84.22 110.61 18.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.645 -0.659 . . . . 0.0 110.192 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.59 -0.694 . . . . 0.0 110.137 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mt-30 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.979 0.418 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -142.95 48.81 1.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.593 -0.692 . . . . 0.0 110.055 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.77 -44.48 11.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 110.239 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -109.05 28.19 8.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.614 -0.678 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t 52.3 94.55 0.05 OUTLIER Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.372 -0.83 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.9 -33.05 8.27 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.478 1.252 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -89.69 166.39 13.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.591 -0.693 . . . . 0.0 110.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -159.1 0.98 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.542 -0.724 . . . . 0.0 110.488 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 98.2 m-20 53.31 53.22 12.1 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.403 -0.811 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.1 26.12 65.36 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.22 132.87 11.52 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.3 m -89.93 116.71 28.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.931 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -89.9 149.89 22.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.738 -0.601 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.28 122.69 9.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.68 -0.637 . . . . 0.0 109.943 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -71.03 122.92 20.92 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.487 -0.758 . . . . 0.0 110.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -122.37 -169.32 1.88 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -64.75 134.43 54.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.688 -0.633 . . . . 0.0 110.229 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.696 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.2 mt-30 56.31 -86.38 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.718 -0.614 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.1 p -84.12 -158.0 0.3 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.947 . . . . 0.0 110.119 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 42.6 p90 -132.98 -170.6 2.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.12 140.85 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.616 -0.677 . . . . 0.0 110.416 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 m -119.73 128.72 54.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 110.385 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.59 113.24 25.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.622 -0.674 . . . . 0.0 109.735 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.0 m -123.64 179.35 4.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.714 . . . . 0.0 110.407 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.72 164.02 44.1 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.696 -0.628 . . . . 0.0 110.153 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.1 -10.72 29.77 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 O-C-N 123.403 1.212 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.44 30.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.229 -0.919 . . . . 0.0 110.663 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.1 m-85 -97.82 159.91 14.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.245 -0.909 . . . . 0.0 110.266 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.0 179.82 7.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.547 -0.721 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.81 152.22 18.83 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.73 -37.36 81.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.48 -1.012 . . . . 0.0 110.124 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -113.19 32.26 5.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 110.003 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.3 m 53.03 42.07 32.21 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.427 -0.795 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 6.5 pt-20 -107.51 24.92 12.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 85' ' ' LYS . 61.4 m -139.66 101.5 4.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.126 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.5 t-160 -76.25 90.33 3.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.595 -0.691 . . . . 0.0 110.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HG2' HG22 ' A' ' 83' ' ' THR . 2.4 mmpt? . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.564 -0.71 . . . . 0.0 110.161 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.039 0.447 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 t -101.47 26.86 6.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.494 -0.754 . . . . 0.0 110.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.34 65.86 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.568 -0.707 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -130.81 23.37 4.99 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.494 -0.754 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t 51.1 80.76 0.28 Allowed Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.59 -28.33 14.43 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.386 1.203 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.7 m -63.95 154.75 33.03 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.522 -0.737 . . . . 0.0 109.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -125.89 174.06 8.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.497 -0.752 . . . . 0.0 110.465 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 52.56 49.05 21.23 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.783 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.34 30.13 73.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.09 140.5 27.69 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -90.44 125.33 35.53 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.606 -0.938 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.01 134.28 34.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -126.1 118.16 24.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 109.791 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.91 112.86 5.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.615 -0.678 . . . . 0.0 110.236 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -121.43 -175.44 3.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.549 -0.72 . . . . 0.0 110.18 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 66' ' ' GLN . 2.8 tt -61.05 148.37 40.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.594 -0.691 . . . . 0.0 110.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' HD23 ' A' ' 65' ' ' LEU . 8.0 mm-40 56.63 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.789 -0.569 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -104.95 -160.45 0.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.126 -0.984 . . . . 0.0 110.075 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -119.3 -168.97 1.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.346 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -147.47 126.33 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.406 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.2 m -89.89 111.54 22.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.569 -0.707 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.402 ' CD2' ' HG3' ' A' ' 62' ' ' LYS . 29.5 m-85 -89.94 98.62 11.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.717 . . . . 0.0 109.701 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -109.59 -169.03 1.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.587 -0.696 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.53 163.17 55.56 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.734 -0.604 . . . . 0.0 110.117 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.11 -17.43 50.71 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.331 1.174 . . . . 0.0 110.819 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.01 13.88 13.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -126.97 151.81 48.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.159 -0.963 . . . . 0.0 110.276 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.95 177.67 9.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.76 161.4 14.22 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -61.14 -38.68 87.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.531 -0.982 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -120.26 36.25 4.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 110.055 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.8 m 53.45 51.04 16.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.553 -0.717 . . . . 0.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.66 26.93 9.36 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.41 95.26 2.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.538 -0.726 . . . . 0.0 110.194 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -61.49 115.09 3.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.538 -0.726 . . . . 0.0 110.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.563 -0.71 . . . . 0.0 110.134 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 23.5 mm-40 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.001 0.429 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -65.09 -27.95 69.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.473 -0.767 . . . . 0.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.53 -23.72 58.9 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.538 -0.726 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -89.69 -18.22 26.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.411 -0.806 . . . . 0.0 110.747 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m 54.34 57.54 12.37 Favored Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.132 -0.98 . . . . 0.0 110.519 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.61 -26.9 15.96 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.298 1.157 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.47 171.41 11.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.479 -0.763 . . . . 0.0 110.228 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.41 -165.8 1.62 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.507 -0.746 . . . . 0.0 110.707 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 52.74 24.3 3.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.5 -0.75 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.14 33.03 78.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.65 156.34 39.73 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -89.84 103.44 16.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.561 -0.964 . . . . 0.0 110.166 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.06 139.77 30.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.598 -0.689 . . . . 0.0 110.79 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 131.35 52.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.649 -0.657 . . . . 0.0 109.737 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.93 111.29 4.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 0.0 110.338 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' HG22 ' A' ' 69' ' ' ILE . 17.5 mt-30 -115.0 -171.25 1.91 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.57 -0.706 . . . . 0.0 109.983 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.99 131.73 51.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.78 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.719 -0.613 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -83.57 -156.71 0.21 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.16 -0.962 . . . . 0.0 110.319 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 34.8 p90 -134.49 -169.27 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.575 -0.703 . . . . 0.0 110.593 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.9 tt -145.91 130.48 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.707 -0.621 . . . . 0.0 110.087 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 m -115.06 131.1 57.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.441 -0.787 . . . . 0.0 111.25 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.51 105.67 17.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.96 -169.24 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.565 -0.709 . . . . 0.0 110.366 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -103.35 169.67 7.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.818 -0.551 . . . . 0.0 110.06 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.05 -22.42 47.72 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.339 1.178 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.04 23.73 13.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 0.0 110.294 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.2 m-85 -132.63 170.09 15.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.464 -0.772 . . . . 0.0 110.426 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -150.27 174.27 13.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.651 -0.656 . . . . 0.0 110.208 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.85 152.7 19.15 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -70.49 -35.54 73.31 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.582 -0.952 . . . . 0.0 110.098 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -105.18 25.25 10.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.68 -0.638 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.32 57.88 5.79 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.354 -0.841 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -132.41 23.26 4.4 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.385 -0.822 . . . . 0.0 110.667 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 m -133.26 97.31 3.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.262 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 t60 -60.83 121.72 13.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.483 -0.761 . . . . 0.0 110.095 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.507 -0.746 . . . . 0.0 110.273 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.208 0.528 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.5 t -66.82 -20.53 65.95 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.576 -0.703 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.94 49.66 1.82 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.384 -0.822 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.7 m -150.27 21.37 0.85 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.529 -0.732 . . . . 0.0 110.586 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 12.7 p 48.91 51.25 10.56 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.421 -0.799 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 53' ' ' SER . 49.4 Cg_endo -74.62 -48.8 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.055 0 O-C-N 123.192 1.101 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.8 m -82.86 162.6 21.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -138.31 -161.72 1.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.465 -0.772 . . . . 0.0 110.661 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 62.3 m-80 53.29 46.36 26.59 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.629 -0.669 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.08 27.83 63.04 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.86 136.39 27.34 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -89.74 103.72 16.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.515 -0.991 . . . . 0.0 109.86 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.53 150.7 22.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.643 -0.661 . . . . 0.0 110.422 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.52 138.47 34.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.736 -0.603 . . . . 0.0 109.75 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -81.79 119.68 24.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.72 . . . . 0.0 110.38 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.59 -166.05 1.53 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.686 -0.634 . . . . 0.0 110.09 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.4 155.34 34.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.169 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 56.51 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.671 -0.643 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 m -106.03 -157.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 110.346 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -120.2 -170.4 1.96 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -147.35 140.14 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.415 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 m -126.05 120.09 29.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.621 -0.674 . . . . 0.0 110.637 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 95.7 m-85 -97.39 105.11 17.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.597 -0.689 . . . . 0.0 109.433 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.1 m -111.5 -170.79 1.71 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.575 -0.703 . . . . 0.0 110.595 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.64 162.93 40.55 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.47 -16.84 52.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.33 1.174 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.45 18.64 9.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 31.1 m-85 -132.41 135.96 46.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.358 -0.839 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -135.86 -168.54 2.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.656 -0.653 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.9 156.22 20.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -59.44 -26.17 64.97 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.467 -1.019 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -132.54 40.3 3.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.517 -0.739 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 45.7 m 50.68 31.26 5.63 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.279 -0.888 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -95.21 18.41 12.38 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.573 -0.704 . . . . 0.0 110.93 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.95 142.04 36.4 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.287 -0.883 . . . . 0.0 110.723 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 68.9 m80 -94.08 121.53 35.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.677 -0.64 . . . . 0.0 109.917 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.388 -0.82 . . . . 0.0 110.054 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.098 0.475 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.17 -16.91 13.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.699 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.5 -19.97 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.241 -0.912 . . . . 0.0 110.997 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -89.54 13.49 13.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.272 -0.892 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m 50.47 55.12 16.46 Favored Pre-proline 0 N--CA 1.502 2.145 0 O-C-N 121.071 -1.018 . . . . 0.0 111.063 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.07 -27.66 13.72 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.293 1.154 . . . . 0.0 110.484 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.9 m -87.16 172.2 10.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.521 -0.737 . . . . 0.0 110.055 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -165.47 2.11 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 111.068 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 53.41 24.35 3.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.678 -0.639 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 28.94 64.69 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.25 162.99 27.23 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.62 106.31 18.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.566 -0.961 . . . . 0.0 109.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.61 155.83 18.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.646 -0.659 . . . . 0.0 110.687 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -150.01 139.0 21.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.735 -0.603 . . . . 0.0 109.845 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.41 134.55 37.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.0 110.094 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.39 -169.18 2.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.648 -0.658 . . . . 0.0 110.168 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 153.16 40.48 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 110.217 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 56.45 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.673 -0.642 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -107.65 -160.8 0.75 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 110.222 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -114.5 -169.89 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.597 -0.69 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 69' ' ' ILE . 2.6 tt -150.11 124.93 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.706 -0.621 . . . . 0.0 110.413 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.7 m -116.63 126.46 53.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.549 -0.72 . . . . 0.0 110.81 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.87 105.37 17.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.653 -0.654 . . . . 0.0 109.253 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.1 m -70.43 172.6 8.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.544 -0.723 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -84.65 168.83 18.9 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.63 -24.21 48.44 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 O-C-N 123.3 1.158 . . . . 0.0 110.478 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.63 23.98 11.18 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.148 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 43.7 m-85 -135.66 166.27 23.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.399 -0.813 . . . . 0.0 110.276 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -150.09 178.97 8.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.582 -0.698 . . . . 0.0 110.223 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.23 147.48 16.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -61.43 -38.89 88.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.571 -0.958 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -103.56 25.73 9.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.583 -0.698 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.98 48.57 22.11 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.431 -0.793 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -114.45 22.25 13.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.466 -0.771 . . . . 0.0 110.661 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -125.45 149.5 48.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.368 -0.832 . . . . 0.0 110.17 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 5.4 t-80 -115.3 86.26 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.603 -0.686 . . . . 0.0 110.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm . . . . . 0 N--CA 1.495 1.781 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.851 HE21 ' N ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.106 0.479 . . . . 0.0 110.239 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 t -108.74 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.528 -0.732 . . . . 0.0 110.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.04 -25.78 34.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.718 . . . . 0.0 110.509 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -94.13 18.05 11.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.505 -0.747 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.0 m 50.96 67.22 4.52 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.173 -0.954 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CB ' ' CZ ' ' A' ' 68' ' ' TYR . 46.8 Cg_endo -73.12 -43.23 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.271 1.143 . . . . 0.0 110.448 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.0 m -68.43 132.61 47.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.616 -0.677 . . . . 0.0 109.685 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -132.18 -170.39 2.41 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.455 -0.778 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 72.3 m-20 53.67 45.79 27.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.52 -0.737 . . . . 0.0 110.974 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.07 28.28 66.19 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.97 150.82 22.49 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -89.92 156.51 18.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.947 . . . . 0.0 109.953 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.96 143.72 49.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.507 -0.745 . . . . 0.0 110.613 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -138.64 129.61 26.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.749 -0.595 . . . . 0.0 109.915 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.86 123.61 26.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.373 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.504 ' HG3' HG22 ' A' ' 69' ' ' ILE . 14.6 mt-30 -128.3 -178.65 4.64 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.614 -0.679 . . . . 0.0 110.09 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.8 mm? -61.43 153.81 26.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.704 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 55.88 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.693 -0.63 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -107.46 -158.64 0.66 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.122 -0.987 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CZ ' ' CB ' ' A' ' 54' ' ' PRO . 50.8 p90 -118.8 -169.86 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.601 -0.687 . . . . 0.0 110.276 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 64' ' ' GLN . 3.6 tt -149.84 129.09 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.872 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.1 m -96.95 125.98 41.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.667 -0.646 . . . . 0.0 110.053 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.75 105.9 18.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.484 -0.76 . . . . 0.0 109.365 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.8 m -85.79 170.87 12.03 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.598 -0.689 . . . . 0.0 110.636 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.76 170.8 10.86 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -64.99 -15.01 48.45 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 O-C-N 123.169 1.089 . . . . 0.0 110.735 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.83 27.77 8.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.345 -0.847 . . . . 0.0 109.946 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' NE2' ' A' ' 84' ' ' HIS . 32.1 m-85 -137.4 164.53 28.42 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.51 -0.744 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.17 172.93 14.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.662 . . . . 0.0 110.127 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.67 25.76 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -88.19 -39.45 14.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.947 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -105.64 27.89 8.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.758 . . . . 0.0 110.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.66 26.57 11.39 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.436 -0.79 . . . . 0.0 110.284 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.432 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -76.33 -21.08 56.62 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.616 -0.677 . . . . 0.0 110.891 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -96.61 155.24 16.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.389 -0.819 . . . . 0.0 110.763 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.4 ' NE2' ' CE2' ' A' ' 76' ' ' PHE . 28.9 m80 -113.72 152.39 30.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.716 -0.615 . . . . 0.0 109.806 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.377 -0.827 . . . . 0.0 110.234 179.562 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 121.107 0.48 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.23 -8.46 11.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.542 -0.724 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.83 21.88 3.89 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.12 -0.987 . . . . 0.0 111.057 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -120.0 22.4 11.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.232 -0.918 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.7 m 50.58 52.56 12.57 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.273 -0.892 . . . . 0.0 110.977 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 68' ' ' TYR . 47.5 Cg_endo -73.9 -35.56 4.25 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.294 1.155 . . . . 0.0 110.522 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -73.25 143.75 46.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.506 -0.746 . . . . 0.0 109.94 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -121.93 179.04 4.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.538 -0.726 . . . . 0.0 110.47 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 77.8 m-20 52.68 46.88 25.86 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.483 -0.761 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.7 31.95 77.13 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.2 143.2 28.25 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -89.92 122.21 32.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.638 -0.919 . . . . 0.0 109.939 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.94 143.59 26.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.581 -0.699 . . . . 0.0 110.494 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -142.33 139.96 31.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.761 -0.587 . . . . 0.0 109.835 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.16 126.32 29.78 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.609 -0.682 . . . . 0.0 110.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -129.31 -168.89 2.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.623 -0.673 . . . . 0.0 110.116 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -60.69 122.56 15.06 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 57.08 -85.07 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.787 -0.57 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 m -75.78 -157.67 0.08 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.196 -0.94 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 54' ' ' PRO . 48.4 p90 -130.13 -169.42 2.13 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.559 -0.713 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -146.48 136.36 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -102.89 111.69 24.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.84 98.38 11.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.553 -0.717 . . . . 0.0 109.647 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.2 -168.98 1.38 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.684 -0.635 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.31 162.48 42.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.096 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.28 -16.32 48.0 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.325 1.171 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.04 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 110.802 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 32.2 m-85 -122.25 154.19 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.21 -0.931 . . . . 0.0 110.241 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 -177.62 5.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.563 -0.711 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.96 153.29 11.4 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.0 -31.09 70.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.608 -0.936 . . . . 0.0 110.103 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -128.89 40.73 3.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.606 -0.684 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.8 m 53.48 48.38 21.93 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.397 -0.814 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -116.93 24.94 10.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.531 -0.73 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.1 m -141.03 105.38 4.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.492 -0.755 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.471 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.8 t-160 -77.53 113.61 15.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.571 -0.706 . . . . 0.0 110.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.558 -0.714 . . . . 0.0 110.156 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.078 0.466 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.46 108.98 18.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.187 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.54 -136.15 3.26 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -116.43 119.59 36.13 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.619 -0.93 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -115.88 28.3 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.554 -0.716 . . . . 0.0 110.208 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 t -139.8 32.48 2.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.583 -0.698 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.03 21.14 4.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.48 -0.763 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 p -139.1 27.11 2.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.318 -0.864 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 m 51.98 65.19 6.61 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.306 -0.871 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.1 -31.79 9.25 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.251 1.132 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.36 160.55 14.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.646 -0.659 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -134.99 -164.55 1.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.548 -0.72 . . . . 0.0 110.802 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 54.4 m-20 53.77 47.14 24.34 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.594 -0.691 . . . . 0.0 110.979 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.96 63.31 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.94 133.21 31.54 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.4 m -89.74 102.1 14.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.983 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.9 t -89.68 147.74 23.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.773 -0.579 . . . . 0.0 110.545 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.01 135.59 34.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.734 -0.604 . . . . 0.0 110.002 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 119.69 16.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 110.24 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -126.89 -178.76 4.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.593 -0.692 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 148.95 41.05 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 56.55 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.701 -0.625 . . . . 0.0 110.76 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 m -103.4 -159.48 0.72 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.072 -1.018 . . . . 0.0 110.177 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -120.52 -169.93 1.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.544 -0.723 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 2.7 tt -147.02 137.71 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.666 -0.646 . . . . 0.0 110.409 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 m -118.45 118.77 32.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.4 m-85 -94.53 107.71 19.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.694 -0.629 . . . . 0.0 109.533 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 78.4 m -113.58 -170.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.657 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.31 163.14 19.77 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.665 -0.647 . . . . 0.0 110.144 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.73 -15.29 46.96 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 O-C-N 123.291 1.153 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.98 15.32 11.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.682 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -131.46 142.67 50.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -136.91 -168.3 2.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.616 -0.678 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.36 159.14 18.51 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -28.24 67.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.995 . . . . 0.0 110.191 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -138.19 46.54 2.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.604 -0.685 . . . . 0.0 109.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.65 27.53 5.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.472 -0.767 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.87 17.17 10.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.645 -0.659 . . . . 0.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 m -140.64 127.45 20.49 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.408 -0.808 . . . . 0.0 110.25 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 6.6 t60 -84.96 128.71 34.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.597 -0.689 . . . . 0.0 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -77.73 61.7 2.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -86.21 -29.04 23.5 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.444 -0.785 . . . . 0.0 110.164 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 52.69 78.32 0.14 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.357 -0.839 . . . . 0.0 110.814 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.69 -105.01 2.95 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.8 m -84.54 -40.05 18.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.465 -1.02 . . . . 0.0 110.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.267 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.049 0.452 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.37 175.76 5.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.62 -0.675 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.98 -167.87 1.26 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -136.93 137.96 40.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.531 -0.982 . . . . 0.0 110.252 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 10.5 mt-30 -142.4 29.07 1.62 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.504 -0.748 . . . . 0.0 110.238 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -158.35 57.07 0.46 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.591 -0.693 . . . . 0.0 109.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.18 19.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 110.728 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.07 -76.33 0.58 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.487 -0.758 . . . . 0.0 110.441 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 p -174.65 79.61 0.34 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 0.0 110.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.35 -28.95 11.81 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 O-C-N 123.324 1.171 . . . . 0.0 110.363 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.5 m -65.49 172.59 3.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.541 -0.724 . . . . 0.0 109.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -125.83 177.84 6.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.452 -0.78 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 53.04 29.34 7.88 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.505 -0.747 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.92 29.0 71.23 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.42 170.65 30.6 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -95.0 118.75 32.36 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.572 -0.958 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.97 138.89 31.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.618 -0.676 . . . . 0.0 110.477 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.1 mttp -128.16 122.97 33.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.633 -0.667 . . . . 0.0 109.745 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.39 92.48 5.21 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.619 -0.676 . . . . 0.0 110.176 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.91 -169.14 2.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.545 -0.722 . . . . 0.0 110.215 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.24 146.57 48.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 56.67 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.713 -0.617 . . . . 0.0 110.788 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 p -93.23 -157.48 0.54 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.098 -1.001 . . . . 0.0 110.181 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 44.3 p90 -132.04 -171.09 2.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.738 . . . . 0.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' ILE . 2.9 tt -148.74 122.4 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -95.75 121.15 37.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.592 -0.693 . . . . 0.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' O ' ' H61' ' A' ' 91' ' ' FUC . 42.9 m-85 -89.79 106.47 18.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.73 . . . . 0.0 109.528 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.1 m -77.39 164.81 25.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.624 -0.672 . . . . 0.0 110.545 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -78.0 169.75 19.45 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.707 -0.621 . . . . 0.0 109.677 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 40.2 Cg_endo -65.87 -20.7 58.18 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 O-C-N 123.256 1.135 . . . . 0.0 110.408 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.69 27.5 9.6 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 109.977 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 41.1 m-85 -138.72 160.02 40.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.493 -0.754 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -150.15 -169.81 3.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.716 -0.615 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.65 151.69 17.01 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -60.35 -26.41 66.57 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.971 . . . . 0.0 110.477 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -124.44 28.58 6.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.403 -0.811 . . . . 0.0 110.238 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 55.71 47.84 19.66 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.411 -0.805 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -118.5 25.23 10.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.656 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.6 m -140.38 147.08 39.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.78 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -91.58 136.67 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.62 -0.675 . . . . 0.0 110.043 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.51 -72.05 0.46 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.552 -0.718 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -131.93 37.1 3.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.6 -0.688 . . . . 0.0 110.28 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -83.19 -64.23 1.21 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.544 -0.723 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.25 158.61 0.18 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t 55.61 -86.75 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.723 -0.869 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.264 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.46 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.169 0.509 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -121.17 -39.21 2.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.72 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.4 -169.64 22.2 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -97.07 90.57 5.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.618 -0.931 . . . . 0.0 110.193 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -121.05 -58.7 1.79 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.549 -0.719 . . . . 0.0 110.198 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 33.6 t -101.53 26.2 7.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.531 -0.731 . . . . 0.0 110.22 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.94 28.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.378 -0.826 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -114.23 25.28 11.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.555 -0.715 . . . . 0.0 110.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m 51.51 77.72 0.44 Allowed Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.364 -0.835 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 47.1 Cg_endo -72.65 -27.87 14.75 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 O-C-N 123.345 1.182 . . . . 0.0 110.464 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.54 -178.47 0.19 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.526 -0.734 . . . . 0.0 109.66 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -146.56 176.83 9.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.478 -0.764 . . . . 0.0 110.567 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 52.94 33.81 15.43 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.467 -0.77 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.55 28.92 70.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.46 171.8 28.56 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.0 115.82 28.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.938 . . . . 0.0 110.124 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.2 t -89.95 126.09 35.61 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.704 -0.623 . . . . 0.0 110.389 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 mptm? -119.61 144.07 47.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.72 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 108.33 21.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.551 -0.718 . . . . 0.0 110.379 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -90.01 -167.36 1.82 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.525 -0.734 . . . . 0.0 109.971 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.23 -67.95 0.66 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.441 -0.787 . . . . 0.0 110.903 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -66.36 -69.24 0.31 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.523 -0.736 . . . . 0.0 110.714 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -118.19 -151.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -112.36 -176.19 2.86 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.442 -0.787 . . . . 0.0 110.072 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 69' ' ' ILE . 2.9 tt -150.4 119.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.606 -0.683 . . . . 0.0 110.691 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.7 m -96.67 118.4 33.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.516 -0.74 . . . . 0.0 110.112 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 39.3 m-85 -89.61 112.53 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.542 -0.724 . . . . 0.0 109.479 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.7 m -89.46 -179.34 5.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 110.425 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 3.3 mt -91.88 169.4 11.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.667 -0.646 . . . . 0.0 109.763 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD23 ' A' ' 73' ' ' LEU . 41.2 Cg_endo -66.76 -14.46 43.92 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.309 1.163 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.35 24.26 12.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.229 -0.919 . . . . 0.0 110.299 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -132.91 165.95 23.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.447 -0.783 . . . . 0.0 110.507 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.11 178.64 8.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.668 . . . . 0.0 110.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.47 163.81 20.85 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -77.51 -23.81 50.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.621 -0.929 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -119.83 26.46 9.31 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.398 -0.814 . . . . 0.0 110.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.5 m 54.03 42.25 31.7 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.362 -0.836 . . . . 0.0 110.512 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.27 -18.89 13.98 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.563 -0.711 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -86.59 149.23 25.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -113.51 112.77 24.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -67.38 95.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.591 -0.693 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -91.95 88.54 6.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.595 -0.691 . . . . 0.0 110.277 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 52.91 -174.77 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.439 -0.788 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.44 -141.34 11.34 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -90.46 -30.01 17.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.55 -0.971 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.165 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.049 0.452 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -106.35 29.62 6.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.57 -174.3 18.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.33 95.98 4.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.584 -0.951 . . . . 0.0 110.203 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.2 mp0 -113.17 -27.32 8.05 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.586 -0.696 . . . . 0.0 110.301 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 27.1 8.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.479 -0.763 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -27.56 19.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.685 . . . . 0.0 110.47 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -112.22 26.57 10.45 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.511 -0.743 . . . . 0.0 110.532 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 p 46.18 80.04 0.31 Allowed Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.619 -0.676 . . . . 0.0 111.511 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.53 -27.05 16.06 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.31 1.163 . . . . 0.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.0 m -97.58 -178.45 4.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.499 -0.751 . . . . 0.0 110.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.89 -166.25 1.64 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.516 -0.74 . . . . 0.0 110.765 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' CE1' ' A' ' 76' ' ' PHE . 69.1 m-80 54.25 30.02 11.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.482 -0.761 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.33 31.8 70.77 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.23 151.59 45.26 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 m -89.71 104.54 17.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.591 -0.947 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -89.54 118.7 29.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.706 . . . . 0.0 110.429 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -106.45 140.75 38.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.577 -0.702 . . . . 0.0 110.012 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.12 91.32 7.65 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.605 -0.685 . . . . 0.0 110.116 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -89.98 -169.01 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.654 -0.654 . . . . 0.0 110.133 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.06 148.08 46.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.564 -0.71 . . . . 0.0 110.198 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 56.62 -85.94 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.649 -0.657 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -95.27 -159.06 0.69 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.095 -1.003 . . . . 0.0 110.18 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 50.4 p90 -129.06 -170.46 2.28 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.408 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.08 141.84 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.653 -0.654 . . . . 0.0 110.491 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -114.23 109.41 18.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.5 -0.75 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.513 ' O ' ' H61' ' A' ' 91' ' ' FUC . 69.2 m-85 -90.46 99.83 12.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.94 -169.56 1.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.636 -0.665 . . . . 0.0 110.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.96 163.35 35.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.659 -0.651 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.84 -10.08 27.67 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.354 1.186 . . . . 0.0 111.347 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.28 -17.41 29.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.2 -0.938 . . . . 0.0 110.542 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' OD1' ' A' ' 57' ' ' ASN . 30.1 m-85 -97.61 159.36 14.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.333 -0.855 . . . . 0.0 110.302 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 179.18 8.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.542 -0.724 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.73 155.23 14.09 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.11 -38.83 87.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.532 -0.981 . . . . 0.0 110.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -114.81 33.12 5.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.611 -0.681 . . . . 0.0 110.019 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.6 m 53.49 52.79 12.68 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.359 -0.838 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.31 26.01 9.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.535 -0.728 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.2 m -137.29 118.37 14.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.523 -0.735 . . . . 0.0 110.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -85.24 89.89 7.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -82.85 100.82 10.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.493 -0.754 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.27 79.83 8.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.26 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.0 p30 -168.32 -165.33 0.59 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.8 118.69 5.01 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.46 47.18 1.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.548 -0.972 . . . . 0.0 110.214 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.21 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.513 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.087 0.47 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -92.49 48.78 1.41 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.597 -0.689 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.63 56.78 0.4 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -126.02 28.92 5.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.578 -0.954 . . . . 0.0 110.186 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -90.96 -23.55 20.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.617 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 32.0 t -103.07 27.17 7.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.516 -0.74 . . . . 0.0 110.081 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.08 -24.61 37.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.531 -0.731 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.73 19.93 10.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.412 -0.805 . . . . 0.0 110.735 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 51.41 71.28 1.56 Allowed Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -73.45 -45.15 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 123.368 1.194 . . . . 0.0 110.457 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -82.78 156.55 23.63 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.641 -0.662 . . . . 0.0 110.122 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -146.5 -155.64 0.64 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.722 . . . . 0.0 110.461 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 54.31 46.04 25.99 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.377 -0.827 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.43 28.49 64.87 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.02 141.49 19.31 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -89.85 140.59 29.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.545 -0.973 . . . . 0.0 109.829 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -118.79 156.9 28.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.524 -0.735 . . . . 0.0 110.557 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 141.73 24.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.668 -0.645 . . . . 0.0 109.853 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.71 140.34 35.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.529 -0.732 . . . . 0.0 110.203 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' A' ' 69' ' ' ILE . 26.7 mt-30 -144.05 -168.92 2.99 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.586 -0.696 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.71 148.24 38.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 56.49 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.641 -0.662 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -166.47 1.34 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.981 . . . . 0.0 110.221 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -114.71 -170.4 1.73 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.8 tt -150.26 137.69 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.649 -0.657 . . . . 0.0 110.387 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -120.94 143.04 49.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.553 -0.717 . . . . 0.0 110.632 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' O ' ' H61' ' A' ' 91' ' ' FUC . 65.3 m-85 -111.64 104.48 12.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.635 -0.666 . . . . 0.0 109.446 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 73.6 m -110.16 -171.92 1.93 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.573 -0.704 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.91 162.83 23.84 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.671 -0.643 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.39 -13.62 40.67 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 O-C-N 123.317 1.167 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HA ' ' HB2' ' A' ' 85' ' ' LYS . . . -91.97 17.02 9.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.612 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -134.17 154.4 51.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 110.674 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.713 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 tt0 -147.64 179.84 7.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.772 -0.58 . . . . 0.0 110.255 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.31 154.42 17.43 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -25.75 63.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.506 -0.996 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -128.57 29.1 5.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.7 m 52.91 53.46 12.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.433 -0.792 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.45 -23.09 15.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.662 -0.649 . . . . 0.0 110.908 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 77' ' ' GLU . 9.9 t -103.18 168.51 9.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.372 -0.83 . . . . 0.0 111.008 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -111.53 160.08 17.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 109.718 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.5 mtpp -119.61 120.51 36.91 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.464 -0.772 . . . . 0.0 110.15 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.86 49.19 1.06 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.575 -0.703 . . . . 0.0 110.231 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 89.25 7.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.587 -0.696 . . . . 0.0 110.162 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.96 -93.82 1.68 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.85 94.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.382 -1.07 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.208 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.464 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.0 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.105 0.478 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.04 97.97 10.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 110.215 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.25 121.63 0.01 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -110.64 85.61 2.15 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.563 -0.963 . . . . 0.0 110.229 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -97.86 28.95 3.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.0 t -132.28 43.9 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.522 -0.736 . . . . 0.0 109.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.16 -26.1 36.3 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.55 -0.719 . . . . 0.0 110.495 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -115.79 24.47 11.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.466 -0.771 . . . . 0.0 110.652 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.0 t 51.11 84.85 0.2 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.244 -0.91 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 68' ' ' TYR . 46.7 Cg_endo -73.4 -28.38 12.29 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.417 1.219 . . . . 0.0 110.562 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.83 178.42 0.46 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.523 -0.735 . . . . 0.0 109.725 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.1 173.18 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.524 -0.735 . . . . 0.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 53.0 41.57 32.18 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.438 -0.789 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.79 69.65 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.33 163.81 41.94 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.03 115.17 26.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.969 . . . . 0.0 110.054 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.81 144.49 25.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.586 -0.696 . . . . 0.0 110.385 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.04 124.68 16.85 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.675 -0.64 . . . . 0.0 110.04 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.08 120.13 16.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.654 -0.654 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.8 -172.47 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.687 -0.633 . . . . 0.0 110.186 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -61.23 138.1 58.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.556 -0.715 . . . . 0.0 110.191 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 56.53 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.659 -0.65 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -91.15 -158.12 0.54 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.04 -1.037 . . . . 0.0 110.247 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CE2' ' CG ' ' A' ' 54' ' ' PRO . 48.4 p90 -129.46 -168.64 1.97 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.0 110.376 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -147.08 134.15 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.668 -0.645 . . . . 0.0 110.718 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.9 m -102.88 117.47 34.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.599 -0.688 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -89.89 94.0 9.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.512 -0.743 . . . . 0.0 109.514 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.4 m -71.45 175.56 5.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.65 . . . . 0.0 110.382 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.5 mt -82.76 170.51 14.38 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.779 -0.576 . . . . 0.0 109.663 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 39.8 Cg_endo -65.96 -21.99 56.15 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 O-C-N 123.196 1.103 . . . . 0.0 110.468 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.83 25.92 10.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.417 -0.802 . . . . 0.0 109.991 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 34.9 m-85 -135.47 162.08 33.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.532 -0.73 . . . . 0.0 110.2 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -150.16 175.18 11.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.559 -0.713 . . . . 0.0 110.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.46 154.28 18.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.4 -43.79 97.99 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.609 -0.936 . . . . 0.0 110.089 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -104.92 27.83 7.74 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.672 . . . . 0.0 110.089 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.1 m 55.55 47.34 21.08 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.448 -0.783 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.04 25.28 11.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.592 -0.693 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -133.17 85.89 2.25 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.521 -0.737 . . . . 0.0 110.193 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -61.96 119.93 9.8 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.606 -0.684 . . . . 0.0 110.106 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -84.28 94.5 8.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.529 -0.732 . . . . 0.0 110.222 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.07 80.23 1.57 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.556 -0.715 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.34 109.21 19.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.616 -0.678 . . . . 0.0 110.17 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.27 -117.0 4.01 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.0 m 52.85 87.81 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.479 -1.012 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.709 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.156 0.503 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -115.82 149.28 38.84 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.576 -0.703 . . . . 0.0 110.249 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.95 72.59 0.07 OUTLIER Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -150.01 -41.15 0.14 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.563 -0.963 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.49 -26.24 66.67 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.336 -0.853 . . . . 0.0 110.433 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.2 t -112.07 32.02 5.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.528 -0.732 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.91 -24.61 30.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.56 -0.713 . . . . 0.0 110.602 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -95.38 19.34 10.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.436 -0.79 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 51.07 72.99 1.06 Allowed Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.254 -0.904 . . . . 0.0 111.002 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.81 -40.62 1.34 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 O-C-N 123.338 1.178 . . . . 0.0 110.401 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.0 m -87.02 172.35 10.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.564 -0.71 . . . . 0.0 110.334 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -157.33 -159.16 0.82 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.556 -0.715 . . . . 0.0 110.296 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 94.0 m-20 53.53 48.04 22.63 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.415 -0.803 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.75 29.84 71.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.53 133.08 12.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -89.87 104.38 16.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.611 -0.935 . . . . 0.0 110.058 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -89.78 151.82 21.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.557 -0.714 . . . . 0.0 110.584 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.8 149.79 35.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.661 -0.649 . . . . 0.0 109.921 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.92 122.8 28.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.637 -0.664 . . . . 0.0 110.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -109.68 -167.72 1.24 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.574 -0.704 . . . . 0.0 110.081 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 65' ' ' LEU . 2.0 mm? -57.12 -75.19 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.484 -0.76 . . . . 0.0 110.856 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -90.12 -77.12 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.41 -0.806 . . . . 0.0 110.547 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.7 p -83.39 -161.61 0.53 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 110.17 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.94 -171.9 1.95 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.61 -0.681 . . . . 0.0 110.155 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.12 135.87 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.6 m -119.1 120.14 36.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.62 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.6 m-85 -96.01 110.21 22.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.709 -0.619 . . . . 0.0 109.748 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.84 -173.47 2.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.472 -0.767 . . . . 0.0 110.482 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.81 164.2 37.9 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.665 -0.647 . . . . 0.0 110.26 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.44 -15.76 46.1 Favored 'Trans proline' 0 C--N 1.318 -1.06 0 O-C-N 123.384 1.202 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.81 12.9 15.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 0.0 110.679 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -124.74 148.36 48.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -140.6 172.61 12.47 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.634 -0.666 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.44 171.51 17.21 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -83.12 -28.92 29.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.581 -0.953 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -119.58 29.11 7.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.562 -0.711 . . . . 0.0 110.14 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.7 m 53.1 53.96 11.11 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.505 -0.747 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 2.2 pm0 -107.66 -19.29 13.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.532 -0.73 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 m -95.89 144.36 26.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 0.0 110.266 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -114.43 99.36 7.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -61.43 95.08 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.54 -0.725 . . . . 0.0 110.183 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.64 88.01 7.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.614 -0.679 . . . . 0.0 110.206 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.49 -28.64 63.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.605 -0.685 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.39 141.74 13.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.8 p -86.45 150.07 24.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.945 . . . . 0.0 110.244 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.191 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.083 0.468 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.0 p30 -137.15 162.75 32.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.598 -0.689 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.66 132.09 15.38 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.64 117.54 29.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.982 . . . . 0.0 110.237 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -110.19 28.2 8.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -130.62 42.5 3.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.539 -0.726 . . . . 0.0 110.009 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.31 -27.3 29.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.615 -0.678 . . . . 0.0 110.507 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.56 21.89 11.9 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.441 -0.787 . . . . 0.0 110.73 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m 50.71 83.05 0.23 Allowed Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.169 -0.957 . . . . 0.0 111.025 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.88 -26.74 15.24 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.375 1.198 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.24 163.47 6.33 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.512 -0.743 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -139.48 177.73 7.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.506 -0.747 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 53.05 46.43 26.74 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.41 -0.806 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.35 31.94 75.53 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.21 149.02 36.78 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 m -89.84 122.81 33.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.91 . . . . 0.0 109.846 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.98 133.81 34.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.572 -0.705 . . . . 0.0 110.572 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -128.39 124.5 36.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.651 -0.655 . . . . 0.0 109.724 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 89.84 5.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.58 -0.7 . . . . 0.0 110.109 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -90.03 -169.06 2.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.565 -0.709 . . . . 0.0 110.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.65 146.83 51.35 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.509 -0.745 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 56.35 -86.13 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.707 -0.621 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -157.87 0.6 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.169 -0.957 . . . . 0.0 110.135 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -129.33 -170.82 2.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.483 -0.761 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -148.44 131.09 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.699 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.6 m -97.89 108.96 21.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.567 -0.708 . . . . 0.0 110.209 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -89.81 112.47 23.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.509 -0.745 . . . . 0.0 109.738 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.1 m -123.14 -169.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.557 -0.715 . . . . 0.0 110.617 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.51 163.34 47.56 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.728 -0.608 . . . . 0.0 110.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 -10.25 28.14 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.39 1.205 . . . . 0.0 111.354 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.35 -17.54 28.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.0 110.561 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 36.0 m-85 -101.64 155.51 18.06 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.94 174.59 12.52 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.263 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.57 160.41 13.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -60.82 -45.18 95.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.488 -1.007 . . . . 0.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -108.7 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.598 -0.689 . . . . 0.0 109.958 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.7 m 53.81 54.68 9.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.46 -0.775 . . . . 0.0 110.69 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.42 25.05 10.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.547 -0.721 . . . . 0.0 110.419 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.0 m -135.83 117.52 15.0 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.52 -0.737 . . . . 0.0 110.108 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 t60 -81.68 89.97 6.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.537 -0.727 . . . . 0.0 110.196 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -86.62 80.65 8.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -101.45 30.82 4.04 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.578 -0.701 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -132.7 114.9 14.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 110.183 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -135.89 -84.69 0.18 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.95 -49.24 0.51 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.547 -0.973 . . . . 0.0 110.205 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.183 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -94.61 85.01 4.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.5 -0.75 . . . . 0.0 110.175 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.32 -61.5 0.03 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.0 75.93 7.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.539 -0.977 . . . . 0.0 110.19 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -113.42 -29.66 7.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.559 -0.713 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.9 t -111.24 31.47 6.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.523 -0.736 . . . . 0.0 109.939 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.46 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.551 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.4 p -91.99 16.6 10.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t 51.04 71.93 1.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.61 -47.95 0.27 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.24 1.126 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.66 160.65 22.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.573 -0.704 . . . . 0.0 110.165 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -147.78 -154.19 0.54 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.483 -0.76 . . . . 0.0 110.525 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 54.5 43.7 29.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.397 -0.814 . . . . 0.0 110.96 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.26 29.14 65.39 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.39 146.51 21.77 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -89.79 144.54 25.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 109.852 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.95 157.71 33.71 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.593 -0.692 . . . . 0.0 110.554 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -150.03 170.89 17.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.63 -0.669 . . . . 0.0 109.855 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.85 127.91 54.14 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.576 -0.703 . . . . 0.0 110.339 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -111.28 -168.2 1.28 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.551 -0.718 . . . . 0.0 110.153 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.21 -77.35 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.7 -76.97 0.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.467 -0.771 . . . . 0.0 110.37 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -87.7 -158.27 0.45 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.083 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -115.77 -170.77 1.85 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.596 -0.69 . . . . 0.0 110.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.11 139.5 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.52 143.48 46.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.532 -0.73 . . . . 0.0 110.727 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.495 ' O ' ' H61' ' A' ' 91' ' ' FUC . 98.2 m-85 -118.37 103.07 9.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.73 -0.606 . . . . 0.0 109.701 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.62 -170.04 1.57 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.493 -0.754 . . . . 0.0 110.467 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.47 164.63 34.39 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.42 -18.11 49.37 Favored 'Trans proline' 0 C--N 1.317 -1.13 0 O-C-N 123.337 1.177 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.97 14.07 13.14 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -127.59 140.53 52.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.206 -0.934 . . . . 0.0 110.243 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -135.39 -177.8 4.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.667 -0.646 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.53 153.88 13.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.89 -31.84 71.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.566 -0.961 . . . . 0.0 110.1 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.93 35.24 4.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.644 -0.66 . . . . 0.0 110.03 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m 52.89 38.51 27.09 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.415 -0.803 . . . . 0.0 110.731 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -108.34 25.16 11.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.72 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.6 m -136.99 91.54 2.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.508 -0.745 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.7 t60 -61.77 116.97 5.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.554 -0.717 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -60.67 -80.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 110.291 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -178.64 -38.0 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.318 -0.864 . . . . 0.0 109.156 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -168.72 -164.93 0.52 Allowed 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.9 119.27 3.85 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -83.66 -71.33 0.51 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.602 -0.94 . . . . 0.0 110.232 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.26 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.495 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -163.09 116.75 1.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.487 -0.758 . . . . 0.0 110.305 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 170.66 36.9 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.14 97.35 6.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.578 -0.954 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 11.0 mt-30 -106.75 -29.03 9.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.621 -0.674 . . . . 0.0 110.15 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.6 m -113.31 32.43 5.76 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.626 -0.671 . . . . 0.0 110.05 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.37 -44.27 37.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.669 -0.644 . . . . 0.0 110.373 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -100.85 22.97 11.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.562 -0.712 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t 50.91 79.69 0.33 Allowed Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 121.272 -0.892 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.82 -28.55 13.44 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.296 1.156 . . . . 0.0 110.399 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.64 172.3 1.28 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.553 -0.717 . . . . 0.0 109.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -128.38 175.58 8.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.469 -0.769 . . . . 0.0 110.262 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 52.6 35.23 17.55 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.449 -0.782 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.88 30.13 76.27 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.15 156.15 53.55 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -91.33 119.32 31.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.586 -0.949 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.8 t -89.98 127.04 35.96 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.585 -0.697 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -115.39 142.03 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.554 -0.717 . . . . 0.0 110.183 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.47 112.48 21.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.573 -0.704 . . . . 0.0 110.169 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -112.87 -169.16 1.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.608 -0.683 . . . . 0.0 110.214 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' NE2' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -68.64 146.31 53.14 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.502 -0.749 . . . . 0.0 110.056 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.611 ' NE2' HD12 ' A' ' 65' ' ' LEU . 1.5 mp0 56.96 -85.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.585 -0.697 . . . . 0.0 110.715 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -98.49 -159.43 0.74 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 110.199 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 51.6 p90 -124.47 -168.03 1.74 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.64 -0.662 . . . . 0.0 110.335 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -149.4 146.37 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.642 . . . . 0.0 110.559 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 m -108.63 121.07 44.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.535 -0.728 . . . . 0.0 110.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -89.71 100.68 13.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.92 -178.6 6.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 110.439 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.6 mt -94.24 170.11 8.77 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.711 -0.618 . . . . 0.0 109.807 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.35 -18.8 55.74 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.273 1.144 . . . . 0.0 110.707 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.42 24.15 13.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.198 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.6 m-85 -135.04 168.14 19.66 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.507 -0.745 . . . . 0.0 110.208 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.17 173.41 13.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.63 147.77 13.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -61.09 -41.43 96.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.948 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.89 28.98 7.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.59 -0.694 . . . . 0.0 110.026 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m 55.84 48.47 18.07 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.419 -0.8 . . . . 0.0 110.334 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.69 22.01 15.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.1 m -137.63 103.36 5.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 t-160 -76.48 119.68 20.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.65 -0.656 . . . . 0.0 110.157 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -83.65 -72.12 0.47 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.532 -0.73 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD1' ' CD2' ' A' ' 84' ' ' HIS . 2.2 m-20 57.02 -84.97 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.656 -0.653 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.1 t70 55.87 -87.63 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.187 -0.945 . . . . 0.0 110.759 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.07 -92.53 1.65 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -160.73 148.13 15.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.622 -0.928 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.229 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.123 0.487 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -89.13 -28.46 20.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.554 -0.716 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.52 178.46 40.73 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.94 97.21 11.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.543 -0.975 . . . . 0.0 110.17 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -134.73 -56.24 0.83 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.608 -0.683 . . . . 0.0 110.226 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.97 27.37 8.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.505 -0.747 . . . . 0.0 110.191 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.81 18.75 6.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.496 -0.753 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 m -137.07 25.42 3.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.256 -0.903 . . . . 0.0 110.442 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m 51.8 61.26 12.72 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 111.005 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.58 -22.82 20.54 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.191 1.1 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.63 156.72 16.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.329 -0.857 . . . . 0.0 109.812 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.23 169.75 9.97 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.525 -0.734 . . . . 0.0 110.404 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 52.11 44.16 29.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.473 -0.767 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.95 75.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.63 150.26 51.82 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -90.08 131.77 35.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.588 -0.948 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 t -89.86 142.81 27.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.666 -0.646 . . . . 0.0 109.671 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -145.68 134.72 22.67 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -81.31 143.68 32.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.594 -0.692 . . . . 0.0 110.478 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -150.05 -169.07 3.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.5 mm? -78.98 160.26 27.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.583 -0.698 . . . . 0.0 110.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 56.89 -85.55 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.632 -0.667 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.2 p -112.0 -157.58 0.62 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.098 -1.001 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.12 -174.55 2.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.52 -0.737 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 139.01 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.762 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 m -109.28 122.24 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.628 -0.67 . . . . 0.0 110.217 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.809 ' HB3' ' H61' ' A' ' 91' ' ' FUC . 22.3 m-85 -89.66 94.16 9.74 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 109.687 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' O ' ' H62' ' A' ' 91' ' ' FUC . 61.6 m -64.15 179.31 0.57 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.625 -0.672 . . . . 0.0 110.304 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -85.0 169.96 14.85 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.673 -0.642 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.23 -20.6 55.79 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.212 1.111 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.16 24.87 12.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.451 -0.781 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -135.2 164.18 28.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -150.17 175.83 11.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.535 -0.728 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.68 152.22 19.02 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -61.41 -44.02 97.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.654 -0.909 . . . . 0.0 110.042 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -104.3 27.8 7.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.672 -0.643 . . . . 0.0 109.912 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.2 m 55.66 46.81 21.94 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.471 -0.768 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.71 23.4 14.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.71 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -134.69 111.3 9.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.445 -0.784 . . . . 0.0 110.171 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -81.57 116.8 21.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.566 -0.709 . . . . 0.0 110.112 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -74.73 -33.19 62.32 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 0.0 110.202 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.77 59.74 3.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.597 -0.689 . . . . 0.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.27 179.55 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.38 -0.825 . . . . 0.0 110.748 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.4 154.09 25.26 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -118.38 -54.25 2.29 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.599 -0.942 . . . . 0.0 110.215 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.181 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.809 ' H61' ' HB3' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -165.65 48.59 0.09 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.92 175.47 14.7 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -102.1 82.69 2.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.582 -0.952 . . . . 0.0 110.153 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mp0 -110.31 -53.05 2.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.67 -0.644 . . . . 0.0 110.132 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -118.5 37.25 4.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.577 -0.702 . . . . 0.0 109.682 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.44 -17.12 54.93 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.726 -0.609 . . . . 0.0 111.032 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -111.05 -77.34 0.59 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.29 -0.881 . . . . 0.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t 178.0 68.58 0.1 Allowed Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.298 -0.876 . . . . 0.0 110.356 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.38 -25.34 15.52 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 O-C-N 123.192 1.101 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 66.8 m -60.26 155.86 16.75 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.493 -0.754 . . . . 0.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 173.23 8.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.544 -0.722 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.02 41.21 32.15 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.468 -0.77 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.91 29.82 73.55 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.52 52.93 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.8 m -90.84 133.17 35.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.551 -0.97 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.77 142.57 27.56 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.6 -0.688 . . . . 0.0 109.948 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -147.62 129.44 15.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.762 -0.586 . . . . 0.0 109.48 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.46 146.52 46.84 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.557 -0.715 . . . . 0.0 110.347 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -145.38 -169.02 3.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.567 -0.708 . . . . 0.0 110.013 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.44 115.74 4.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.504 -0.748 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 56.54 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.677 -0.64 . . . . 0.0 110.746 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -62.33 -157.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.977 . . . . 0.0 110.215 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 26.7 p90 -141.15 -173.94 3.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.467 -0.771 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 62' ' ' LYS . 3.1 tt -150.16 141.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.571 -0.706 . . . . 0.0 110.669 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.2 m -109.99 117.19 33.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.576 -0.702 . . . . 0.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 42.4 m-85 -89.9 121.07 31.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.449 -0.782 . . . . 0.0 109.908 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.2 m -130.02 -167.78 1.86 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.468 -0.77 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.7 mp -79.89 162.13 63.51 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.693 -0.63 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.87 -17.16 51.59 Favored 'Trans proline' 0 C--N 1.316 -1.147 0 O-C-N 123.292 1.154 . . . . 0.0 110.73 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 17.48 10.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 23.5 m-85 -125.06 151.63 45.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.264 -0.897 . . . . 0.0 110.488 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.02 178.43 8.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.61 -0.681 . . . . 0.0 110.074 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.85 156.84 11.05 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -61.06 -28.12 68.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.977 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -131.15 38.13 3.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.568 -0.708 . . . . 0.0 110.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.7 m 53.15 43.55 31.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.408 -0.807 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.24 23.77 13.65 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.566 -0.709 . . . . 0.0 110.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.2 m -144.34 110.55 5.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.47 -0.769 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 72.7 m80 -68.43 168.94 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.548 -0.72 . . . . 0.0 109.813 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -127.23 128.86 46.74 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.72 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -134.26 52.03 2.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.579 -0.701 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.61 48.96 0.88 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.196 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.82 155.12 6.32 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.1 t 52.84 -177.52 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.412 -1.052 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.185 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.158 0.504 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 52.84 -178.57 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.417 -0.802 . . . . 0.0 110.82 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.14 -154.89 25.97 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -90.01 164.43 14.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.617 -0.931 . . . . 0.0 110.187 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -159.67 27.92 0.19 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.475 -0.766 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -138.86 29.36 2.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.592 -0.692 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.86 20.87 4.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.55 -0.719 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 p -132.73 25.62 4.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 t 51.58 57.36 16.53 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.348 -0.845 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.64 -28.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.284 1.15 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.0 m -104.86 171.33 7.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.161 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.28 -158.76 0.82 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.99 43.34 30.95 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.401 -0.812 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.95 28.68 66.49 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.63 135.21 15.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.81 111.12 22.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.961 . . . . 0.0 110.033 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.3 t -89.82 156.02 18.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.592 -0.692 . . . . 0.0 110.499 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.66 133.79 17.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.645 -0.659 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.33 122.63 19.95 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.507 -0.746 . . . . 0.0 110.214 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -126.37 -169.29 1.99 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.602 -0.686 . . . . 0.0 110.178 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.57 141.76 56.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.213 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 56.38 -86.18 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.692 -0.63 . . . . 0.0 110.728 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.4 m -94.61 -159.09 0.68 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 110.068 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -124.97 -169.94 2.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -145.25 143.72 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.694 -0.629 . . . . 0.0 110.415 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m -129.78 122.82 29.57 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.598 -0.689 . . . . 0.0 110.761 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.99 94.44 9.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.636 -0.665 . . . . 0.0 109.432 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.93 176.4 1.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.58 -0.7 . . . . 0.0 110.18 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.1 mt -84.36 169.14 17.71 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.737 -0.602 . . . . 0.0 109.962 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.63 -24.0 48.68 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.306 1.161 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.46 23.99 11.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.466 -0.771 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 50.6 m-85 -136.97 163.97 29.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.486 -0.759 . . . . 0.0 110.27 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -150.05 179.61 7.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.547 -0.721 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.62 150.63 17.81 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.44 -40.75 95.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.55 -0.971 . . . . 0.0 110.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -105.37 27.3 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.585 -0.697 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.97 49.04 19.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.444 -0.785 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.41 24.96 10.97 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.478 -0.764 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -133.39 119.03 19.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.473 -0.767 . . . . 0.0 110.296 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.403 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 6.7 t-80 -84.22 110.61 18.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.645 -0.659 . . . . 0.0 110.192 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.7 107.37 0.95 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.59 -0.694 . . . . 0.0 110.137 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.74 -33.28 5.55 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.66 159.29 20.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.591 -0.693 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.98 -55.09 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.4 m -96.9 36.52 1.4 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.629 -0.924 . . . . 0.0 110.201 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.266 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.041 0.448 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.16 -71.59 0.26 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 -141.14 16.69 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.32 161.15 26.48 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.573 -0.957 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mt-30 -138.38 27.92 2.53 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.673 . . . . 0.0 110.223 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -142.95 48.81 1.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.593 -0.692 . . . . 0.0 110.055 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.77 -44.48 11.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 110.239 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -109.05 28.19 8.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.614 -0.678 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t 52.3 94.55 0.05 OUTLIER Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.372 -0.83 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.9 -33.05 8.27 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.478 1.252 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -89.69 166.39 13.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.591 -0.693 . . . . 0.0 110.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -159.1 0.98 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.542 -0.724 . . . . 0.0 110.488 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 98.2 m-20 53.31 53.22 12.1 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.403 -0.811 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.1 26.12 65.36 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.22 132.87 11.52 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.3 m -89.93 116.71 28.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.931 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -89.9 149.89 22.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.738 -0.601 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.28 122.69 9.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.68 -0.637 . . . . 0.0 109.943 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -71.03 122.92 20.92 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.487 -0.758 . . . . 0.0 110.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -122.37 -169.32 1.88 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -64.75 134.43 54.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.688 -0.633 . . . . 0.0 110.229 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.696 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.2 mt-30 56.31 -86.38 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.718 -0.614 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.1 p -84.12 -158.0 0.3 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.947 . . . . 0.0 110.119 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 42.6 p90 -132.98 -170.6 2.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.12 140.85 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.616 -0.677 . . . . 0.0 110.416 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 m -119.73 128.72 54.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 110.385 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.59 113.24 25.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.622 -0.674 . . . . 0.0 109.735 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.0 m -123.64 179.35 4.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.714 . . . . 0.0 110.407 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.72 164.02 44.1 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.696 -0.628 . . . . 0.0 110.153 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.1 -10.72 29.77 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 O-C-N 123.403 1.212 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.44 30.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.229 -0.919 . . . . 0.0 110.663 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.1 m-85 -97.82 159.91 14.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.245 -0.909 . . . . 0.0 110.266 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.0 179.82 7.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.547 -0.721 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.81 152.22 18.83 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.73 -37.36 81.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.48 -1.012 . . . . 0.0 110.124 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -113.19 32.26 5.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 110.003 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.3 m 53.03 42.07 32.21 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.427 -0.795 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 6.5 pt-20 -107.51 24.92 12.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 85' ' ' LYS . 61.4 m -139.66 101.5 4.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.126 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.5 t-160 -76.25 90.33 3.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.595 -0.691 . . . . 0.0 110.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HG2' HG22 ' A' ' 83' ' ' THR . 2.4 mmpt? -81.33 84.91 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.564 -0.71 . . . . 0.0 110.161 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -72.27 73.02 0.95 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.581 -0.699 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.13 163.4 6.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.545 -0.722 . . . . 0.0 110.116 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.16 32.44 2.39 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.2 p -166.77 -43.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.592 -0.946 . . . . 0.0 110.199 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.202 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.083 0.468 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -88.4 125.93 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.731 . . . . 0.0 110.178 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.5 -136.98 4.61 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.59 ' OD2' ' HB2' ' A' ' 51' ' ' ALA . 3.0 t70 -89.92 123.08 33.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.496 -1.002 . . . . 0.0 110.26 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -113.17 -27.33 8.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.579 -0.701 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 t -101.47 26.86 6.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.494 -0.754 . . . . 0.0 110.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.59 ' HB2' ' OD2' ' A' ' 48' ' ' ASP . . . -59.36 -27.34 65.86 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.568 -0.707 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -130.81 23.37 4.99 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.494 -0.754 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t 51.1 80.76 0.28 Allowed Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.59 -28.33 14.43 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.386 1.203 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.7 m -63.95 154.75 33.03 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.522 -0.737 . . . . 0.0 109.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -125.89 174.06 8.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.497 -0.752 . . . . 0.0 110.465 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 52.56 49.05 21.23 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.783 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.34 30.13 73.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.09 140.5 27.69 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -90.44 125.33 35.53 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.606 -0.938 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.01 134.28 34.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -126.1 118.16 24.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 109.791 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.91 112.86 5.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.615 -0.678 . . . . 0.0 110.236 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -121.43 -175.44 3.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.549 -0.72 . . . . 0.0 110.18 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 66' ' ' GLN . 2.8 tt -61.05 148.37 40.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.594 -0.691 . . . . 0.0 110.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' HD23 ' A' ' 65' ' ' LEU . 8.0 mm-40 56.63 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.789 -0.569 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -104.95 -160.45 0.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.126 -0.984 . . . . 0.0 110.075 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -119.3 -168.97 1.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.346 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -147.47 126.33 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.406 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.2 m -89.89 111.54 22.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.569 -0.707 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' H61' ' A' ' 91' ' ' FUC . 29.5 m-85 -89.94 98.62 11.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.717 . . . . 0.0 109.701 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -109.59 -169.03 1.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.587 -0.696 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.53 163.17 55.56 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.734 -0.604 . . . . 0.0 110.117 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.11 -17.43 50.71 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.331 1.174 . . . . 0.0 110.819 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.01 13.88 13.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -126.97 151.81 48.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.159 -0.963 . . . . 0.0 110.276 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.95 177.67 9.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.76 161.4 14.22 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -61.14 -38.68 87.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.531 -0.982 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -120.26 36.25 4.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 110.055 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.8 m 53.45 51.04 16.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.553 -0.717 . . . . 0.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.66 26.93 9.36 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.41 95.26 2.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.538 -0.726 . . . . 0.0 110.194 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -61.49 115.09 3.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.538 -0.726 . . . . 0.0 110.12 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -61.53 -70.62 0.18 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.563 -0.71 . . . . 0.0 110.134 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t0 52.88 50.09 18.8 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.58 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.618 -0.676 . . . . 0.0 110.781 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.15 -159.69 53.81 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -102.72 -43.45 5.58 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.536 -0.979 . . . . 0.0 110.198 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.139 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.773 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.433 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.069 0.461 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.07 -39.64 68.87 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.603 -0.686 . . . . 0.0 110.187 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.27 -172.54 9.22 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.33 124.18 48.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.541 -0.976 . . . . 0.0 110.208 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 23.5 mm-40 -114.0 -27.5 7.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.593 -0.692 . . . . 0.0 110.431 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -65.09 -27.95 69.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.473 -0.767 . . . . 0.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.53 -23.72 58.9 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.538 -0.726 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -89.69 -18.22 26.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.411 -0.806 . . . . 0.0 110.747 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m 54.34 57.54 12.37 Favored Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.132 -0.98 . . . . 0.0 110.519 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.61 -26.9 15.96 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.298 1.157 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.47 171.41 11.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.479 -0.763 . . . . 0.0 110.228 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.41 -165.8 1.62 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.507 -0.746 . . . . 0.0 110.707 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 52.74 24.3 3.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.5 -0.75 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.14 33.03 78.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.65 156.34 39.73 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -89.84 103.44 16.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.561 -0.964 . . . . 0.0 110.166 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.06 139.77 30.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.598 -0.689 . . . . 0.0 110.79 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 131.35 52.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.649 -0.657 . . . . 0.0 109.737 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.93 111.29 4.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 0.0 110.338 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' HG22 ' A' ' 69' ' ' ILE . 17.5 mt-30 -115.0 -171.25 1.91 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.57 -0.706 . . . . 0.0 109.983 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.99 131.73 51.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.78 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.719 -0.613 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -83.57 -156.71 0.21 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.16 -0.962 . . . . 0.0 110.319 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 34.8 p90 -134.49 -169.27 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.575 -0.703 . . . . 0.0 110.593 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.9 tt -145.91 130.48 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.707 -0.621 . . . . 0.0 110.087 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 m -115.06 131.1 57.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.441 -0.787 . . . . 0.0 111.25 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.51 105.67 17.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.96 -169.24 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.565 -0.709 . . . . 0.0 110.366 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -103.35 169.67 7.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.818 -0.551 . . . . 0.0 110.06 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.05 -22.42 47.72 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.339 1.178 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.04 23.73 13.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 0.0 110.294 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.2 m-85 -132.63 170.09 15.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.464 -0.772 . . . . 0.0 110.426 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -150.27 174.27 13.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.651 -0.656 . . . . 0.0 110.208 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.85 152.7 19.15 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -70.49 -35.54 73.31 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.582 -0.952 . . . . 0.0 110.098 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -105.18 25.25 10.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.68 -0.638 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.32 57.88 5.79 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.354 -0.841 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -132.41 23.26 4.4 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.385 -0.822 . . . . 0.0 110.667 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 m -133.26 97.31 3.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.262 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 t60 -60.83 121.72 13.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.483 -0.761 . . . . 0.0 110.095 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -61.09 -73.38 0.1 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.507 -0.746 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t0 52.64 62.43 2.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.35 -0.844 . . . . 0.0 110.738 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.99 121.28 12.02 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.591 -0.693 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.32 -81.47 0.04 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -167.73 -71.57 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.62 -0.929 . . . . 0.0 110.213 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.229 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.081 0.467 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 55.54 -86.53 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.709 -0.619 . . . . 0.0 110.991 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.04 159.11 30.78 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -110.58 109.69 20.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.958 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -125.18 -41.82 2.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.498 -0.751 . . . . 0.0 110.174 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.5 t -66.82 -20.53 65.95 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.576 -0.703 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.94 49.66 1.82 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.384 -0.822 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.7 m -150.27 21.37 0.85 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.529 -0.732 . . . . 0.0 110.586 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 12.7 p 48.91 51.25 10.56 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.421 -0.799 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 53' ' ' SER . 49.4 Cg_endo -74.62 -48.8 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.055 0 O-C-N 123.192 1.101 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.8 m -82.86 162.6 21.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -138.31 -161.72 1.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.465 -0.772 . . . . 0.0 110.661 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 62.3 m-80 53.29 46.36 26.59 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.629 -0.669 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.08 27.83 63.04 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.86 136.39 27.34 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -89.74 103.72 16.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.515 -0.991 . . . . 0.0 109.86 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.53 150.7 22.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.643 -0.661 . . . . 0.0 110.422 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.52 138.47 34.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.736 -0.603 . . . . 0.0 109.75 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -81.79 119.68 24.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.72 . . . . 0.0 110.38 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.59 -166.05 1.53 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.686 -0.634 . . . . 0.0 110.09 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.4 155.34 34.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.169 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 56.51 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.671 -0.643 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 m -106.03 -157.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 110.346 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -120.2 -170.4 1.96 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -147.35 140.14 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.415 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 m -126.05 120.09 29.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.621 -0.674 . . . . 0.0 110.637 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.516 ' O ' ' H61' ' A' ' 91' ' ' FUC . 95.7 m-85 -97.39 105.11 17.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.597 -0.689 . . . . 0.0 109.433 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.1 m -111.5 -170.79 1.71 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.575 -0.703 . . . . 0.0 110.595 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.64 162.93 40.55 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.47 -16.84 52.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.33 1.174 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.45 18.64 9.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 31.1 m-85 -132.41 135.96 46.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.358 -0.839 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -135.86 -168.54 2.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.656 -0.653 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.9 156.22 20.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -59.44 -26.17 64.97 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.467 -1.019 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -132.54 40.3 3.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.517 -0.739 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 45.7 m 50.68 31.26 5.63 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.279 -0.888 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -95.21 18.41 12.38 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.573 -0.704 . . . . 0.0 110.93 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.95 142.04 36.4 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.287 -0.883 . . . . 0.0 110.723 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 68.9 m80 -94.08 121.53 35.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.677 -0.64 . . . . 0.0 109.917 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -63.36 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.388 -0.82 . . . . 0.0 110.054 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -72.22 73.85 0.95 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.558 -0.714 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -80.13 -29.8 38.96 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.59 -138.64 7.05 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.7 p -141.08 148.64 40.49 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.537 -0.978 . . . . 0.0 110.212 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.198 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.516 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.048 0.452 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.47 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.679 -0.638 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.11 113.84 0.63 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.34 143.5 32.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.536 -0.979 . . . . 0.0 110.213 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -138.98 27.63 2.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.6 -0.687 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.17 -16.91 13.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.699 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.5 -19.97 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.241 -0.912 . . . . 0.0 110.997 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -89.54 13.49 13.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.272 -0.892 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m 50.47 55.12 16.46 Favored Pre-proline 0 N--CA 1.502 2.145 0 O-C-N 121.071 -1.018 . . . . 0.0 111.063 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.07 -27.66 13.72 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.293 1.154 . . . . 0.0 110.484 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.9 m -87.16 172.2 10.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.521 -0.737 . . . . 0.0 110.055 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -165.47 2.11 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 111.068 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 53.41 24.35 3.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.678 -0.639 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 28.94 64.69 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.25 162.99 27.23 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.62 106.31 18.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.566 -0.961 . . . . 0.0 109.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.61 155.83 18.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.646 -0.659 . . . . 0.0 110.687 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -150.01 139.0 21.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.735 -0.603 . . . . 0.0 109.845 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.41 134.55 37.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.0 110.094 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.39 -169.18 2.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.648 -0.658 . . . . 0.0 110.168 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 153.16 40.48 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 110.217 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 56.45 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.673 -0.642 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -107.65 -160.8 0.75 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 110.222 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -114.5 -169.89 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.597 -0.69 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 69' ' ' ILE . 2.6 tt -150.11 124.93 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.706 -0.621 . . . . 0.0 110.413 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.7 m -116.63 126.46 53.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.549 -0.72 . . . . 0.0 110.81 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' O ' ' H61' ' A' ' 91' ' ' FUC . 97.9 m-85 -89.87 105.37 17.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.653 -0.654 . . . . 0.0 109.253 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.1 m -70.43 172.6 8.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.544 -0.723 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -84.65 168.83 18.9 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.63 -24.21 48.44 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 O-C-N 123.3 1.158 . . . . 0.0 110.478 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.63 23.98 11.18 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.148 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 43.7 m-85 -135.66 166.27 23.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.399 -0.813 . . . . 0.0 110.276 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -150.09 178.97 8.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.582 -0.698 . . . . 0.0 110.223 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.23 147.48 16.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -61.43 -38.89 88.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.571 -0.958 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -103.56 25.73 9.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.583 -0.698 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.98 48.57 22.11 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.431 -0.793 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -114.45 22.25 13.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.466 -0.771 . . . . 0.0 110.661 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -125.45 149.5 48.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.368 -0.832 . . . . 0.0 110.17 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.434 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 5.4 t-80 -115.3 86.26 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.603 -0.686 . . . . 0.0 110.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -82.86 -54.19 5.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 t70 52.83 36.69 22.14 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.438 -0.789 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -109.47 -67.11 1.01 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.583 -0.698 . . . . 0.0 110.165 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.41 -112.77 0.54 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p -85.35 177.07 7.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.555 -0.968 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.242 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.706 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.026 0.441 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -103.45 51.76 0.78 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.631 -0.668 . . . . 0.0 110.164 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.19 30.26 4.6 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -111.74 28.7 8.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.521 -0.988 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -92.75 -28.87 16.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.239 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 t -108.74 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.528 -0.732 . . . . 0.0 110.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.04 -25.78 34.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.718 . . . . 0.0 110.509 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -94.13 18.05 11.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.505 -0.747 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.0 m 50.96 67.22 4.52 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.173 -0.954 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CB ' ' CZ ' ' A' ' 68' ' ' TYR . 46.8 Cg_endo -73.12 -43.23 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.271 1.143 . . . . 0.0 110.448 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.0 m -68.43 132.61 47.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.616 -0.677 . . . . 0.0 109.685 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -132.18 -170.39 2.41 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.455 -0.778 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 72.3 m-20 53.67 45.79 27.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.52 -0.737 . . . . 0.0 110.974 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.07 28.28 66.19 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.97 150.82 22.49 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -89.92 156.51 18.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.947 . . . . 0.0 109.953 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.96 143.72 49.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.507 -0.745 . . . . 0.0 110.613 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -138.64 129.61 26.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.749 -0.595 . . . . 0.0 109.915 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.86 123.61 26.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.373 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.504 ' HG3' HG22 ' A' ' 69' ' ' ILE . 14.6 mt-30 -128.3 -178.65 4.64 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.614 -0.679 . . . . 0.0 110.09 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.8 mm? -61.43 153.81 26.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.704 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 55.88 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.693 -0.63 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -107.46 -158.64 0.66 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.122 -0.987 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CZ ' ' CB ' ' A' ' 54' ' ' PRO . 50.8 p90 -118.8 -169.86 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.601 -0.687 . . . . 0.0 110.276 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 64' ' ' GLN . 3.6 tt -149.84 129.09 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.872 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.1 m -96.95 125.98 41.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.667 -0.646 . . . . 0.0 110.053 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' O ' ' H61' ' A' ' 91' ' ' FUC . 41.6 m-85 -89.75 105.9 18.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.484 -0.76 . . . . 0.0 109.365 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.8 m -85.79 170.87 12.03 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.598 -0.689 . . . . 0.0 110.636 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HG ' ' H62' ' A' ' 91' ' ' FUC . 11.7 mt -87.76 170.8 10.86 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -64.99 -15.01 48.45 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 O-C-N 123.169 1.089 . . . . 0.0 110.735 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.83 27.77 8.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.345 -0.847 . . . . 0.0 109.946 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' NE2' ' A' ' 84' ' ' HIS . 32.1 m-85 -137.4 164.53 28.42 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.51 -0.744 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.17 172.93 14.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.662 . . . . 0.0 110.127 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.67 25.76 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -88.19 -39.45 14.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.947 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -105.64 27.89 8.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.758 . . . . 0.0 110.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.66 26.57 11.39 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.436 -0.79 . . . . 0.0 110.284 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -76.33 -21.08 56.62 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.616 -0.677 . . . . 0.0 110.891 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -96.61 155.24 16.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.389 -0.819 . . . . 0.0 110.763 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.4 ' NE2' ' CE2' ' A' ' 76' ' ' PHE . 28.9 m80 -113.72 152.39 30.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.716 -0.615 . . . . 0.0 109.806 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -134.74 91.65 2.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.377 -0.827 . . . . 0.0 110.234 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -152.16 65.62 0.84 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t0 52.91 -179.68 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.1 -144.08 5.79 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t 52.8 78.68 0.13 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -1.035 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.186 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 91' ' ' FUC . . . . . 0.528 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.067 0.46 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 141.69 36.3 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.601 -0.687 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.17 116.54 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.68 -70.6 0.76 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.941 . . . . 0.0 110.202 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 52.62 26.47 4.39 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.467 -0.771 . . . . 0.0 110.816 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.23 -8.46 11.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.542 -0.724 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.83 21.88 3.89 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.12 -0.987 . . . . 0.0 111.057 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -120.0 22.4 11.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.232 -0.918 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.7 m 50.58 52.56 12.57 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.273 -0.892 . . . . 0.0 110.977 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 68' ' ' TYR . 47.5 Cg_endo -73.9 -35.56 4.25 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.294 1.155 . . . . 0.0 110.522 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -73.25 143.75 46.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.506 -0.746 . . . . 0.0 109.94 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -121.93 179.04 4.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.538 -0.726 . . . . 0.0 110.47 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 77.8 m-20 52.68 46.88 25.86 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.483 -0.761 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.7 31.95 77.13 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.2 143.2 28.25 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -89.92 122.21 32.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.638 -0.919 . . . . 0.0 109.939 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.94 143.59 26.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.581 -0.699 . . . . 0.0 110.494 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -142.33 139.96 31.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.761 -0.587 . . . . 0.0 109.835 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.16 126.32 29.78 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.609 -0.682 . . . . 0.0 110.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -129.31 -168.89 2.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.623 -0.673 . . . . 0.0 110.116 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -60.69 122.56 15.06 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 57.08 -85.07 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.787 -0.57 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 m -75.78 -157.67 0.08 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.196 -0.94 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 54' ' ' PRO . 48.4 p90 -130.13 -169.42 2.13 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.559 -0.713 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -146.48 136.36 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -102.89 111.69 24.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.84 98.38 11.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.553 -0.717 . . . . 0.0 109.647 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.2 -168.98 1.38 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.684 -0.635 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.31 162.48 42.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.096 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.28 -16.32 48.0 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.325 1.171 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.04 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 110.802 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 32.2 m-85 -122.25 154.19 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.21 -0.931 . . . . 0.0 110.241 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 -177.62 5.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.563 -0.711 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.96 153.29 11.4 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.0 -31.09 70.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.608 -0.936 . . . . 0.0 110.103 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -128.89 40.73 3.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.606 -0.684 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.8 m 53.48 48.38 21.93 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.397 -0.814 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -116.93 24.94 10.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.531 -0.73 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.1 m -141.03 105.38 4.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.492 -0.755 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.471 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.8 t-160 -77.53 113.61 15.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.571 -0.706 . . . . 0.0 110.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -81.49 79.72 8.03 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.558 -0.714 . . . . 0.0 110.156 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.89 91.36 8.33 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.571 -0.706 . . . . 0.0 110.153 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.36 30.07 4.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.606 -0.683 . . . . 0.0 110.25 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.34 53.27 0.74 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.8 p 50.31 -160.05 0.07 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.602 -0.94 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.759 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.002 0.43 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 t -139.8 32.48 2.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.583 -0.698 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.03 21.14 4.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.48 -0.763 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 p -139.1 27.11 2.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.318 -0.864 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 m 51.98 65.19 6.61 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.306 -0.871 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.1 -31.79 9.25 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.251 1.132 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.36 160.55 14.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.646 -0.659 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.99 -164.55 1.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.548 -0.72 . . . . 0.0 110.802 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 54.4 m-20 53.77 47.14 24.34 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.594 -0.691 . . . . 0.0 110.979 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.96 63.31 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.94 133.21 31.54 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.4 m -89.74 102.1 14.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.983 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.9 t -89.68 147.74 23.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.773 -0.579 . . . . 0.0 110.545 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.01 135.59 34.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.734 -0.604 . . . . 0.0 110.002 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 119.69 16.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 110.24 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -126.89 -178.76 4.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.593 -0.692 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 148.95 41.05 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 56.55 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.701 -0.625 . . . . 0.0 110.76 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 m -103.4 -159.48 0.72 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.072 -1.018 . . . . 0.0 110.177 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -120.52 -169.93 1.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.544 -0.723 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 2.7 tt -147.02 137.71 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.666 -0.646 . . . . 0.0 110.409 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 m -118.45 118.77 32.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.4 m-85 -94.53 107.71 19.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.694 -0.629 . . . . 0.0 109.533 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 78.4 m -113.58 -170.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.657 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.31 163.14 19.77 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.665 -0.647 . . . . 0.0 110.144 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.73 -15.29 46.96 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 O-C-N 123.291 1.153 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.98 15.32 11.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.682 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -131.46 142.67 50.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -136.91 -168.3 2.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.616 -0.678 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.36 159.14 18.51 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -28.24 67.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.995 . . . . 0.0 110.191 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -138.19 46.54 2.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.604 -0.685 . . . . 0.0 109.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.65 27.53 5.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.472 -0.767 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.87 17.17 10.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.645 -0.659 . . . . 0.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 m -140.64 127.45 20.49 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.408 -0.808 . . . . 0.0 110.25 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 6.6 t60 -84.96 128.71 34.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.597 -0.689 . . . . 0.0 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 10.5 mt-30 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.09 0.472 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -158.35 57.07 0.46 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.591 -0.693 . . . . 0.0 109.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.18 19.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 110.728 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.07 -76.33 0.58 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.487 -0.758 . . . . 0.0 110.441 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 p -174.65 79.61 0.34 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 0.0 110.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.35 -28.95 11.81 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 O-C-N 123.324 1.171 . . . . 0.0 110.363 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.5 m -65.49 172.59 3.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.541 -0.724 . . . . 0.0 109.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -125.83 177.84 6.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.452 -0.78 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 53.04 29.34 7.88 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.505 -0.747 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.92 29.0 71.23 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.42 170.65 30.6 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -95.0 118.75 32.36 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.572 -0.958 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.97 138.89 31.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.618 -0.676 . . . . 0.0 110.477 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.1 mttp -128.16 122.97 33.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.633 -0.667 . . . . 0.0 109.745 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.39 92.48 5.21 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.619 -0.676 . . . . 0.0 110.176 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.91 -169.14 2.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.545 -0.722 . . . . 0.0 110.215 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.24 146.57 48.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 56.67 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.713 -0.617 . . . . 0.0 110.788 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 p -93.23 -157.48 0.54 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.098 -1.001 . . . . 0.0 110.181 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 44.3 p90 -132.04 -171.09 2.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.738 . . . . 0.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 69' ' ' ILE . 2.9 tt -148.74 122.4 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -95.75 121.15 37.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.592 -0.693 . . . . 0.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -89.79 106.47 18.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.73 . . . . 0.0 109.528 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.1 m -77.39 164.81 25.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.624 -0.672 . . . . 0.0 110.545 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -78.0 169.75 19.45 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.707 -0.621 . . . . 0.0 109.677 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 40.2 Cg_endo -65.87 -20.7 58.18 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 O-C-N 123.256 1.135 . . . . 0.0 110.408 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.69 27.5 9.6 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 109.977 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 41.1 m-85 -138.72 160.02 40.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.493 -0.754 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -150.15 -169.81 3.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.716 -0.615 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.65 151.69 17.01 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -60.35 -26.41 66.57 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.971 . . . . 0.0 110.477 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -124.44 28.58 6.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.403 -0.811 . . . . 0.0 110.238 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 55.71 47.84 19.66 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.411 -0.805 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -118.5 25.23 10.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.656 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.6 m -140.38 147.08 39.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.78 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -91.58 136.67 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.62 -0.675 . . . . 0.0 110.043 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.552 -0.718 . . . . 0.0 110.206 179.925 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.099 0.476 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 33.6 t -101.53 26.2 7.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.531 -0.731 . . . . 0.0 110.22 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.94 28.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.378 -0.826 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -114.23 25.28 11.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.555 -0.715 . . . . 0.0 110.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m 51.51 77.72 0.44 Allowed Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.364 -0.835 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 47.1 Cg_endo -72.65 -27.87 14.75 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 O-C-N 123.345 1.182 . . . . 0.0 110.464 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.54 -178.47 0.19 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.526 -0.734 . . . . 0.0 109.66 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -146.56 176.83 9.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.478 -0.764 . . . . 0.0 110.567 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 52.94 33.81 15.43 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.467 -0.77 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.55 28.92 70.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.46 171.8 28.56 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.0 115.82 28.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.938 . . . . 0.0 110.124 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.2 t -89.95 126.09 35.61 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.704 -0.623 . . . . 0.0 110.389 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 mptm? -119.61 144.07 47.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.72 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 108.33 21.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.551 -0.718 . . . . 0.0 110.379 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -90.01 -167.36 1.82 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.525 -0.734 . . . . 0.0 109.971 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.23 -67.95 0.66 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.441 -0.787 . . . . 0.0 110.903 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -66.36 -69.24 0.31 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.523 -0.736 . . . . 0.0 110.714 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -118.19 -151.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -112.36 -176.19 2.86 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.442 -0.787 . . . . 0.0 110.072 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 69' ' ' ILE . 2.9 tt -150.4 119.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.606 -0.683 . . . . 0.0 110.691 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.7 m -96.67 118.4 33.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.516 -0.74 . . . . 0.0 110.112 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 39.3 m-85 -89.61 112.53 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.542 -0.724 . . . . 0.0 109.479 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.7 m -89.46 -179.34 5.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 110.425 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 3.3 mt -91.88 169.4 11.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.667 -0.646 . . . . 0.0 109.763 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD23 ' A' ' 73' ' ' LEU . 41.2 Cg_endo -66.76 -14.46 43.92 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.309 1.163 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.35 24.26 12.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.229 -0.919 . . . . 0.0 110.299 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -132.91 165.95 23.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.447 -0.783 . . . . 0.0 110.507 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.11 178.64 8.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.668 . . . . 0.0 110.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.47 163.81 20.85 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -77.51 -23.81 50.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.621 -0.929 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -119.83 26.46 9.31 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.398 -0.814 . . . . 0.0 110.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.5 m 54.03 42.25 31.7 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.362 -0.836 . . . . 0.0 110.512 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.27 -18.89 13.98 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.563 -0.711 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -86.59 149.23 25.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -113.51 112.77 24.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.591 -0.693 . . . . 0.0 110.132 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.2 mp0 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.01 0.433 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 27.1 8.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.479 -0.763 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -27.56 19.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.685 . . . . 0.0 110.47 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -112.22 26.57 10.45 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.511 -0.743 . . . . 0.0 110.532 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 p 46.18 80.04 0.31 Allowed Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.619 -0.676 . . . . 0.0 111.511 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.53 -27.05 16.06 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.31 1.163 . . . . 0.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.0 m -97.58 -178.45 4.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.499 -0.751 . . . . 0.0 110.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.89 -166.25 1.64 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.516 -0.74 . . . . 0.0 110.765 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' CE1' ' A' ' 76' ' ' PHE . 69.1 m-80 54.25 30.02 11.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.482 -0.761 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.33 31.8 70.77 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.23 151.59 45.26 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 m -89.71 104.54 17.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.591 -0.947 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -89.54 118.7 29.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.706 . . . . 0.0 110.429 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -106.45 140.75 38.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.577 -0.702 . . . . 0.0 110.012 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.12 91.32 7.65 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.605 -0.685 . . . . 0.0 110.116 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -89.98 -169.01 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.654 -0.654 . . . . 0.0 110.133 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.06 148.08 46.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.564 -0.71 . . . . 0.0 110.198 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 56.62 -85.94 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.649 -0.657 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -95.27 -159.06 0.69 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.095 -1.003 . . . . 0.0 110.18 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 50.4 p90 -129.06 -170.46 2.28 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.408 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.08 141.84 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.653 -0.654 . . . . 0.0 110.491 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -114.23 109.41 18.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.5 -0.75 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 69.2 m-85 -90.46 99.83 12.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.94 -169.56 1.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.636 -0.665 . . . . 0.0 110.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.96 163.35 35.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.659 -0.651 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.84 -10.08 27.67 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.354 1.186 . . . . 0.0 111.347 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.28 -17.41 29.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.2 -0.938 . . . . 0.0 110.542 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' OD1' ' A' ' 57' ' ' ASN . 30.1 m-85 -97.61 159.36 14.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.333 -0.855 . . . . 0.0 110.302 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 179.18 8.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.542 -0.724 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.73 155.23 14.09 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.11 -38.83 87.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.532 -0.981 . . . . 0.0 110.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -114.81 33.12 5.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.611 -0.681 . . . . 0.0 110.019 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.6 m 53.49 52.79 12.68 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.359 -0.838 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.31 26.01 9.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.535 -0.728 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.2 m -137.29 118.37 14.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.523 -0.735 . . . . 0.0 110.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -85.24 89.89 7.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.493 -0.754 . . . . 0.0 110.252 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.933 0.397 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 32.0 t -103.07 27.17 7.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.516 -0.74 . . . . 0.0 110.081 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.08 -24.61 37.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.531 -0.731 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.73 19.93 10.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.412 -0.805 . . . . 0.0 110.735 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 51.41 71.28 1.56 Allowed Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -73.45 -45.15 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 123.368 1.194 . . . . 0.0 110.457 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -82.78 156.55 23.63 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.641 -0.662 . . . . 0.0 110.122 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -146.5 -155.64 0.64 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.722 . . . . 0.0 110.461 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 54.31 46.04 25.99 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.377 -0.827 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.43 28.49 64.87 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.02 141.49 19.31 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -89.85 140.59 29.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.545 -0.973 . . . . 0.0 109.829 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -118.79 156.9 28.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.524 -0.735 . . . . 0.0 110.557 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 141.73 24.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.668 -0.645 . . . . 0.0 109.853 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.71 140.34 35.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.529 -0.732 . . . . 0.0 110.203 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' A' ' 69' ' ' ILE . 26.7 mt-30 -144.05 -168.92 2.99 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.586 -0.696 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.71 148.24 38.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 56.49 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.641 -0.662 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -166.47 1.34 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.981 . . . . 0.0 110.221 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -114.71 -170.4 1.73 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.8 tt -150.26 137.69 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.649 -0.657 . . . . 0.0 110.387 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -120.94 143.04 49.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.553 -0.717 . . . . 0.0 110.632 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -111.64 104.48 12.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.635 -0.666 . . . . 0.0 109.446 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 73.6 m -110.16 -171.92 1.93 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.573 -0.704 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.91 162.83 23.84 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.671 -0.643 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.39 -13.62 40.67 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 O-C-N 123.317 1.167 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HA ' ' HB2' ' A' ' 85' ' ' LYS . . . -91.97 17.02 9.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.612 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -134.17 154.4 51.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 110.674 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.713 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 tt0 -147.64 179.84 7.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.772 -0.58 . . . . 0.0 110.255 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.31 154.42 17.43 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -25.75 63.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.506 -0.996 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -128.57 29.1 5.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.7 m 52.91 53.46 12.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.433 -0.792 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.45 -23.09 15.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.662 -0.649 . . . . 0.0 110.908 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 77' ' ' GLU . 9.9 t -103.18 168.51 9.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.372 -0.83 . . . . 0.0 111.008 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -111.53 160.08 17.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 109.718 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.5 mtpp . . . . . 0 N--CA 1.495 1.8 0 O-C-N 121.464 -0.772 . . . . 0.0 110.15 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.161 0.505 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.0 t -132.28 43.9 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.522 -0.736 . . . . 0.0 109.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.16 -26.1 36.3 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.55 -0.719 . . . . 0.0 110.495 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -115.79 24.47 11.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.466 -0.771 . . . . 0.0 110.652 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.0 t 51.11 84.85 0.2 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.244 -0.91 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 68' ' ' TYR . 46.7 Cg_endo -73.4 -28.38 12.29 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.417 1.219 . . . . 0.0 110.562 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.83 178.42 0.46 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.523 -0.735 . . . . 0.0 109.725 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.1 173.18 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.524 -0.735 . . . . 0.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 53.0 41.57 32.18 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.438 -0.789 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.79 69.65 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.33 163.81 41.94 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.03 115.17 26.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.969 . . . . 0.0 110.054 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.81 144.49 25.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.586 -0.696 . . . . 0.0 110.385 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.04 124.68 16.85 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.675 -0.64 . . . . 0.0 110.04 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.08 120.13 16.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.654 -0.654 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.8 -172.47 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.687 -0.633 . . . . 0.0 110.186 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -61.23 138.1 58.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.556 -0.715 . . . . 0.0 110.191 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 56.53 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.659 -0.65 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -91.15 -158.12 0.54 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.04 -1.037 . . . . 0.0 110.247 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CE2' ' CG ' ' A' ' 54' ' ' PRO . 48.4 p90 -129.46 -168.64 1.97 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.0 110.376 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -147.08 134.15 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.668 -0.645 . . . . 0.0 110.718 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.9 m -102.88 117.47 34.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.599 -0.688 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -89.89 94.0 9.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.512 -0.743 . . . . 0.0 109.514 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.4 m -71.45 175.56 5.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.65 . . . . 0.0 110.382 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.5 mt -82.76 170.51 14.38 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.779 -0.576 . . . . 0.0 109.663 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 39.8 Cg_endo -65.96 -21.99 56.15 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 O-C-N 123.196 1.103 . . . . 0.0 110.468 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.83 25.92 10.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.417 -0.802 . . . . 0.0 109.991 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 34.9 m-85 -135.47 162.08 33.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.532 -0.73 . . . . 0.0 110.2 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -150.16 175.18 11.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.559 -0.713 . . . . 0.0 110.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.46 154.28 18.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.4 -43.79 97.99 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.609 -0.936 . . . . 0.0 110.089 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -104.92 27.83 7.74 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.672 . . . . 0.0 110.089 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.1 m 55.55 47.34 21.08 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.448 -0.783 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.04 25.28 11.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.592 -0.693 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -133.17 85.89 2.25 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.521 -0.737 . . . . 0.0 110.193 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 t-160 -61.96 119.93 9.8 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.606 -0.684 . . . . 0.0 110.106 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.529 -0.732 . . . . 0.0 110.222 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 120.982 0.42 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.2 t -112.07 32.02 5.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.528 -0.732 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.91 -24.61 30.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.56 -0.713 . . . . 0.0 110.602 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -95.38 19.34 10.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.436 -0.79 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 51.07 72.99 1.06 Allowed Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.254 -0.904 . . . . 0.0 111.002 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.81 -40.62 1.34 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 O-C-N 123.338 1.178 . . . . 0.0 110.401 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.0 m -87.02 172.35 10.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.564 -0.71 . . . . 0.0 110.334 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -157.33 -159.16 0.82 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.556 -0.715 . . . . 0.0 110.296 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 94.0 m-20 53.53 48.04 22.63 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.415 -0.803 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.75 29.84 71.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.53 133.08 12.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -89.87 104.38 16.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.611 -0.935 . . . . 0.0 110.058 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -89.78 151.82 21.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.557 -0.714 . . . . 0.0 110.584 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.8 149.79 35.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.661 -0.649 . . . . 0.0 109.921 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.92 122.8 28.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.637 -0.664 . . . . 0.0 110.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -109.68 -167.72 1.24 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.574 -0.704 . . . . 0.0 110.081 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 65' ' ' LEU . 2.0 mm? -57.12 -75.19 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.484 -0.76 . . . . 0.0 110.856 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -90.12 -77.12 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.41 -0.806 . . . . 0.0 110.547 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.7 p -83.39 -161.61 0.53 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 110.17 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.94 -171.9 1.95 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.61 -0.681 . . . . 0.0 110.155 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.12 135.87 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.6 m -119.1 120.14 36.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.62 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.6 m-85 -96.01 110.21 22.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.709 -0.619 . . . . 0.0 109.748 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.84 -173.47 2.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.472 -0.767 . . . . 0.0 110.482 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.81 164.2 37.9 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.665 -0.647 . . . . 0.0 110.26 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.44 -15.76 46.1 Favored 'Trans proline' 0 C--N 1.318 -1.06 0 O-C-N 123.384 1.202 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.81 12.9 15.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 0.0 110.679 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.0 m-85 -124.74 148.36 48.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -140.6 172.61 12.47 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.634 -0.666 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.44 171.51 17.21 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -83.12 -28.92 29.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.581 -0.953 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -119.58 29.11 7.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.562 -0.711 . . . . 0.0 110.14 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.7 m 53.1 53.96 11.11 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.505 -0.747 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 2.2 pm0 -107.66 -19.29 13.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.532 -0.73 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 m -95.89 144.36 26.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 0.0 110.266 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.4 t-160 -114.43 99.36 7.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt . . . . . 0 N--CA 1.496 1.852 0 O-C-N 121.54 -0.725 . . . . 0.0 110.183 -179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.087 0.47 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -130.62 42.5 3.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.539 -0.726 . . . . 0.0 110.009 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.31 -27.3 29.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.615 -0.678 . . . . 0.0 110.507 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.56 21.89 11.9 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.441 -0.787 . . . . 0.0 110.73 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m 50.71 83.05 0.23 Allowed Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.169 -0.957 . . . . 0.0 111.025 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.88 -26.74 15.24 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.375 1.198 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.24 163.47 6.33 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.512 -0.743 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -139.48 177.73 7.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.506 -0.747 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 53.05 46.43 26.74 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.41 -0.806 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.35 31.94 75.53 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.21 149.02 36.78 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 m -89.84 122.81 33.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.91 . . . . 0.0 109.846 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.98 133.81 34.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.572 -0.705 . . . . 0.0 110.572 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -128.39 124.5 36.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.651 -0.655 . . . . 0.0 109.724 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 89.84 5.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.58 -0.7 . . . . 0.0 110.109 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -90.03 -169.06 2.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.565 -0.709 . . . . 0.0 110.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.65 146.83 51.35 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.509 -0.745 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 56.35 -86.13 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.707 -0.621 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -157.87 0.6 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.169 -0.957 . . . . 0.0 110.135 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -129.33 -170.82 2.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.483 -0.761 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -148.44 131.09 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.699 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.6 m -97.89 108.96 21.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.567 -0.708 . . . . 0.0 110.209 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -89.81 112.47 23.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.509 -0.745 . . . . 0.0 109.738 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.1 m -123.14 -169.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.557 -0.715 . . . . 0.0 110.617 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.51 163.34 47.56 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.728 -0.608 . . . . 0.0 110.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 -10.25 28.14 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.39 1.205 . . . . 0.0 111.354 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.35 -17.54 28.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.0 110.561 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 36.0 m-85 -101.64 155.51 18.06 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.94 174.59 12.52 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.263 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.57 160.41 13.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -60.82 -45.18 95.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.488 -1.007 . . . . 0.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -108.7 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.598 -0.689 . . . . 0.0 109.958 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.7 m 53.81 54.68 9.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.46 -0.775 . . . . 0.0 110.69 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.42 25.05 10.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.547 -0.721 . . . . 0.0 110.419 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.0 m -135.83 117.52 15.0 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.52 -0.737 . . . . 0.0 110.108 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 t60 -81.68 89.97 6.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.537 -0.727 . . . . 0.0 110.196 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.139 0.495 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.9 t -111.24 31.47 6.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.523 -0.736 . . . . 0.0 109.939 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.46 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.551 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.4 p -91.99 16.6 10.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t 51.04 71.93 1.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.61 -47.95 0.27 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.24 1.126 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.66 160.65 22.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.573 -0.704 . . . . 0.0 110.165 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -147.78 -154.19 0.54 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.483 -0.76 . . . . 0.0 110.525 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 54.5 43.7 29.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.397 -0.814 . . . . 0.0 110.96 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.26 29.14 65.39 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.39 146.51 21.77 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -89.79 144.54 25.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 109.852 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.95 157.71 33.71 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.593 -0.692 . . . . 0.0 110.554 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -150.03 170.89 17.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.63 -0.669 . . . . 0.0 109.855 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.85 127.91 54.14 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.576 -0.703 . . . . 0.0 110.339 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -111.28 -168.2 1.28 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.551 -0.718 . . . . 0.0 110.153 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.21 -77.35 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.7 -76.97 0.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.467 -0.771 . . . . 0.0 110.37 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -87.7 -158.27 0.45 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.083 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -115.77 -170.77 1.85 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.596 -0.69 . . . . 0.0 110.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.11 139.5 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.52 143.48 46.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.532 -0.73 . . . . 0.0 110.727 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -118.37 103.07 9.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.73 -0.606 . . . . 0.0 109.701 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.62 -170.04 1.57 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.493 -0.754 . . . . 0.0 110.467 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.47 164.63 34.39 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.42 -18.11 49.37 Favored 'Trans proline' 0 C--N 1.317 -1.13 0 O-C-N 123.337 1.177 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.97 14.07 13.14 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -127.59 140.53 52.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.206 -0.934 . . . . 0.0 110.243 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -135.39 -177.8 4.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.667 -0.646 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.53 153.88 13.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.89 -31.84 71.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.566 -0.961 . . . . 0.0 110.1 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.93 35.24 4.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.644 -0.66 . . . . 0.0 110.03 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m 52.89 38.51 27.09 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.415 -0.803 . . . . 0.0 110.731 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -108.34 25.16 11.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.72 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.6 m -136.99 91.54 2.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.508 -0.745 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.7 t60 -61.77 116.97 5.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.554 -0.717 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.7 mttt . . . . . 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 110.291 -179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 39.8 mt-30 . . . . . 0 N--CA 1.495 1.782 0 CA-C-O 120.992 0.425 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.6 m -113.31 32.43 5.76 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.626 -0.671 . . . . 0.0 110.05 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.37 -44.27 37.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.669 -0.644 . . . . 0.0 110.373 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -100.85 22.97 11.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.562 -0.712 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t 50.91 79.69 0.33 Allowed Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 121.272 -0.892 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.82 -28.55 13.44 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.296 1.156 . . . . 0.0 110.399 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.64 172.3 1.28 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.553 -0.717 . . . . 0.0 109.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -128.38 175.58 8.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.469 -0.769 . . . . 0.0 110.262 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 52.6 35.23 17.55 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.449 -0.782 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.88 30.13 76.27 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.15 156.15 53.55 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -91.33 119.32 31.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.586 -0.949 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.8 t -89.98 127.04 35.96 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.585 -0.697 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -115.39 142.03 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.554 -0.717 . . . . 0.0 110.183 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.47 112.48 21.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.573 -0.704 . . . . 0.0 110.169 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -112.87 -169.16 1.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.608 -0.683 . . . . 0.0 110.214 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' NE2' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -68.64 146.31 53.14 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.502 -0.749 . . . . 0.0 110.056 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.611 ' NE2' HD12 ' A' ' 65' ' ' LEU . 1.5 mp0 56.96 -85.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.585 -0.697 . . . . 0.0 110.715 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -98.49 -159.43 0.74 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 110.199 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 51.6 p90 -124.47 -168.03 1.74 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.64 -0.662 . . . . 0.0 110.335 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -149.4 146.37 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.642 . . . . 0.0 110.559 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 m -108.63 121.07 44.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.535 -0.728 . . . . 0.0 110.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -89.71 100.68 13.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.92 -178.6 6.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 110.439 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.6 mt -94.24 170.11 8.77 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.711 -0.618 . . . . 0.0 109.807 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.35 -18.8 55.74 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.273 1.144 . . . . 0.0 110.707 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.42 24.15 13.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.198 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.6 m-85 -135.04 168.14 19.66 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.507 -0.745 . . . . 0.0 110.208 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.17 173.41 13.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.63 147.77 13.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -61.09 -41.43 96.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.948 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.89 28.98 7.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.59 -0.694 . . . . 0.0 110.026 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m 55.84 48.47 18.07 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.419 -0.8 . . . . 0.0 110.334 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.69 22.01 15.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.1 m -137.63 103.36 5.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 t-160 -76.48 119.68 20.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.65 -0.656 . . . . 0.0 110.157 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.532 -0.73 . . . . 0.0 110.299 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 121.172 0.51 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.97 27.37 8.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.505 -0.747 . . . . 0.0 110.191 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.81 18.75 6.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.496 -0.753 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 m -137.07 25.42 3.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.256 -0.903 . . . . 0.0 110.442 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m 51.8 61.26 12.72 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 111.005 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.58 -22.82 20.54 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.191 1.1 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.63 156.72 16.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.329 -0.857 . . . . 0.0 109.812 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.23 169.75 9.97 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.525 -0.734 . . . . 0.0 110.404 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 52.11 44.16 29.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.473 -0.767 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.95 75.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.63 150.26 51.82 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -90.08 131.77 35.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.588 -0.948 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 t -89.86 142.81 27.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.666 -0.646 . . . . 0.0 109.671 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -145.68 134.72 22.67 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -81.31 143.68 32.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.594 -0.692 . . . . 0.0 110.478 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -150.05 -169.07 3.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.5 mm? -78.98 160.26 27.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.583 -0.698 . . . . 0.0 110.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 56.89 -85.55 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.632 -0.667 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.2 p -112.0 -157.58 0.62 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.098 -1.001 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.12 -174.55 2.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.52 -0.737 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 139.01 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.762 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 m -109.28 122.24 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.628 -0.67 . . . . 0.0 110.217 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.432 ' CE1' ' HD3' ' A' ' 62' ' ' LYS . 22.3 m-85 -89.66 94.16 9.74 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 109.687 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.15 179.31 0.57 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.625 -0.672 . . . . 0.0 110.304 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -85.0 169.96 14.85 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.673 -0.642 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.23 -20.6 55.79 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.212 1.111 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.16 24.87 12.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.451 -0.781 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -135.2 164.18 28.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -150.17 175.83 11.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.535 -0.728 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.68 152.22 19.02 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -61.41 -44.02 97.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.654 -0.909 . . . . 0.0 110.042 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -104.3 27.8 7.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.672 -0.643 . . . . 0.0 109.912 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.2 m 55.66 46.81 21.94 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.471 -0.768 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.71 23.4 14.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.71 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -134.69 111.3 9.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.445 -0.784 . . . . 0.0 110.171 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -81.57 116.8 21.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.566 -0.709 . . . . 0.0 110.112 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 0.0 110.202 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mp0 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 121.193 0.521 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -118.5 37.25 4.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.577 -0.702 . . . . 0.0 109.682 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.44 -17.12 54.93 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.726 -0.609 . . . . 0.0 111.032 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -111.05 -77.34 0.59 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.29 -0.881 . . . . 0.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t 178.0 68.58 0.1 Allowed Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.298 -0.876 . . . . 0.0 110.356 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.38 -25.34 15.52 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 O-C-N 123.192 1.101 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 66.8 m -60.26 155.86 16.75 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.493 -0.754 . . . . 0.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 173.23 8.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.544 -0.722 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.02 41.21 32.15 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.468 -0.77 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.91 29.82 73.55 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.52 52.93 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.8 m -90.84 133.17 35.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.551 -0.97 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.77 142.57 27.56 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.6 -0.688 . . . . 0.0 109.948 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -147.62 129.44 15.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.762 -0.586 . . . . 0.0 109.48 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.46 146.52 46.84 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.557 -0.715 . . . . 0.0 110.347 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -145.38 -169.02 3.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.567 -0.708 . . . . 0.0 110.013 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.44 115.74 4.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.504 -0.748 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 56.54 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.677 -0.64 . . . . 0.0 110.746 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -62.33 -157.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.977 . . . . 0.0 110.215 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 26.7 p90 -141.15 -173.94 3.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.467 -0.771 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 62' ' ' LYS . 3.1 tt -150.16 141.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.571 -0.706 . . . . 0.0 110.669 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.2 m -109.99 117.19 33.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.576 -0.702 . . . . 0.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 42.4 m-85 -89.9 121.07 31.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.449 -0.782 . . . . 0.0 109.908 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.2 m -130.02 -167.78 1.86 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.468 -0.77 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.7 mp -79.89 162.13 63.51 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.693 -0.63 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.87 -17.16 51.59 Favored 'Trans proline' 0 C--N 1.316 -1.147 0 O-C-N 123.292 1.154 . . . . 0.0 110.73 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 17.48 10.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 23.5 m-85 -125.06 151.63 45.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.264 -0.897 . . . . 0.0 110.488 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.02 178.43 8.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.61 -0.681 . . . . 0.0 110.074 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.85 156.84 11.05 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -61.06 -28.12 68.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.977 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -131.15 38.13 3.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.568 -0.708 . . . . 0.0 110.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.7 m 53.15 43.55 31.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.408 -0.807 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.24 23.77 13.65 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.566 -0.709 . . . . 0.0 110.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.2 m -144.34 110.55 5.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.47 -0.769 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 72.7 m80 -68.43 168.94 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.548 -0.72 . . . . 0.0 109.813 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.72 . . . . 0.0 110.239 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.083 0.468 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -138.86 29.36 2.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.592 -0.692 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.86 20.87 4.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.55 -0.719 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 p -132.73 25.62 4.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 t 51.58 57.36 16.53 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.348 -0.845 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.64 -28.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.284 1.15 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.0 m -104.86 171.33 7.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.161 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.28 -158.76 0.82 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.99 43.34 30.95 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.401 -0.812 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.95 28.68 66.49 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.63 135.21 15.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.81 111.12 22.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.961 . . . . 0.0 110.033 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.3 t -89.82 156.02 18.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.592 -0.692 . . . . 0.0 110.499 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.66 133.79 17.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.645 -0.659 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.33 122.63 19.95 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.507 -0.746 . . . . 0.0 110.214 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -126.37 -169.29 1.99 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.602 -0.686 . . . . 0.0 110.178 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.57 141.76 56.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.213 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 56.38 -86.18 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.692 -0.63 . . . . 0.0 110.728 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.4 m -94.61 -159.09 0.68 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 110.068 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -124.97 -169.94 2.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -145.25 143.72 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.694 -0.629 . . . . 0.0 110.415 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m -129.78 122.82 29.57 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.598 -0.689 . . . . 0.0 110.761 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.99 94.44 9.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.636 -0.665 . . . . 0.0 109.432 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.93 176.4 1.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.58 -0.7 . . . . 0.0 110.18 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.1 mt -84.36 169.14 17.71 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.737 -0.602 . . . . 0.0 109.962 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.63 -24.0 48.68 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.306 1.161 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.46 23.99 11.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.466 -0.771 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 50.6 m-85 -136.97 163.97 29.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.486 -0.759 . . . . 0.0 110.27 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -150.05 179.61 7.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.547 -0.721 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.62 150.63 17.81 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.44 -40.75 95.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.55 -0.971 . . . . 0.0 110.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -105.37 27.3 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.585 -0.697 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.97 49.04 19.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.444 -0.785 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.41 24.96 10.97 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.478 -0.764 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -133.39 119.03 19.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.473 -0.767 . . . . 0.0 110.296 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.4 t60 -84.22 110.61 18.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.645 -0.659 . . . . 0.0 110.192 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.59 -0.694 . . . . 0.0 110.137 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mt-30 . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 120.979 0.418 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -142.95 48.81 1.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.593 -0.692 . . . . 0.0 110.055 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.77 -44.48 11.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 110.239 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -109.05 28.19 8.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.614 -0.678 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t 52.3 94.55 0.05 OUTLIER Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.372 -0.83 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.9 -33.05 8.27 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.478 1.252 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -89.69 166.39 13.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.591 -0.693 . . . . 0.0 110.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -159.1 0.98 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.542 -0.724 . . . . 0.0 110.488 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 98.2 m-20 53.31 53.22 12.1 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.403 -0.811 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.1 26.12 65.36 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.22 132.87 11.52 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.3 m -89.93 116.71 28.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.931 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -89.9 149.89 22.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.738 -0.601 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.28 122.69 9.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.68 -0.637 . . . . 0.0 109.943 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -71.03 122.92 20.92 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.487 -0.758 . . . . 0.0 110.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -122.37 -169.32 1.88 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -64.75 134.43 54.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.688 -0.633 . . . . 0.0 110.229 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.696 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.2 mt-30 56.31 -86.38 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.718 -0.614 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.1 p -84.12 -158.0 0.3 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.947 . . . . 0.0 110.119 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 42.6 p90 -132.98 -170.6 2.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.12 140.85 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.616 -0.677 . . . . 0.0 110.416 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 m -119.73 128.72 54.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 110.385 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.59 113.24 25.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.622 -0.674 . . . . 0.0 109.735 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.0 m -123.64 179.35 4.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.714 . . . . 0.0 110.407 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.72 164.02 44.1 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.696 -0.628 . . . . 0.0 110.153 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.1 -10.72 29.77 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 O-C-N 123.403 1.212 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.44 30.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.229 -0.919 . . . . 0.0 110.663 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.1 m-85 -97.82 159.91 14.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.245 -0.909 . . . . 0.0 110.266 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.0 179.82 7.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.547 -0.721 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.81 152.22 18.83 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.73 -37.36 81.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.48 -1.012 . . . . 0.0 110.124 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -113.19 32.26 5.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 110.003 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.3 m 53.03 42.07 32.21 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.427 -0.795 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 6.5 pt-20 -107.51 24.92 12.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 85' ' ' LYS . 61.4 m -139.66 101.5 4.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.126 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.5 t-160 -76.25 90.33 3.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.595 -0.691 . . . . 0.0 110.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HG2' HG22 ' A' ' 83' ' ' THR . 2.4 mmpt? . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.564 -0.71 . . . . 0.0 110.161 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.039 0.447 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 t -101.47 26.86 6.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.494 -0.754 . . . . 0.0 110.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.36 -27.34 65.86 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.568 -0.707 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -130.81 23.37 4.99 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.494 -0.754 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t 51.1 80.76 0.28 Allowed Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.59 -28.33 14.43 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.386 1.203 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.7 m -63.95 154.75 33.03 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.522 -0.737 . . . . 0.0 109.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -125.89 174.06 8.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.497 -0.752 . . . . 0.0 110.465 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 52.56 49.05 21.23 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.783 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.34 30.13 73.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.09 140.5 27.69 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -90.44 125.33 35.53 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.606 -0.938 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.01 134.28 34.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -126.1 118.16 24.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 109.791 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.91 112.86 5.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.615 -0.678 . . . . 0.0 110.236 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -121.43 -175.44 3.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.549 -0.72 . . . . 0.0 110.18 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 66' ' ' GLN . 2.8 tt -61.05 148.37 40.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.594 -0.691 . . . . 0.0 110.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' HD23 ' A' ' 65' ' ' LEU . 8.0 mm-40 56.63 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.789 -0.569 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -104.95 -160.45 0.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.126 -0.984 . . . . 0.0 110.075 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -119.3 -168.97 1.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.346 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -147.47 126.33 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.406 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.2 m -89.89 111.54 22.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.569 -0.707 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.402 ' CD2' ' HG3' ' A' ' 62' ' ' LYS . 29.5 m-85 -89.94 98.62 11.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.717 . . . . 0.0 109.701 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -109.59 -169.03 1.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.587 -0.696 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.53 163.17 55.56 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.734 -0.604 . . . . 0.0 110.117 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.11 -17.43 50.71 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.331 1.174 . . . . 0.0 110.819 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.01 13.88 13.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 37.9 m-85 -126.97 151.81 48.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.159 -0.963 . . . . 0.0 110.276 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.95 177.67 9.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.76 161.4 14.22 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -61.14 -38.68 87.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.531 -0.982 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -120.26 36.25 4.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 110.055 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.8 m 53.45 51.04 16.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.553 -0.717 . . . . 0.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.66 26.93 9.36 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.41 95.26 2.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.538 -0.726 . . . . 0.0 110.194 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 t60 -61.49 115.09 3.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.538 -0.726 . . . . 0.0 110.12 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt . . . . . 0 N--CA 1.496 1.867 0 O-C-N 121.563 -0.71 . . . . 0.0 110.134 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 23.5 mm-40 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.001 0.429 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -65.09 -27.95 69.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.473 -0.767 . . . . 0.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.53 -23.72 58.9 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.538 -0.726 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -89.69 -18.22 26.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.411 -0.806 . . . . 0.0 110.747 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m 54.34 57.54 12.37 Favored Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.132 -0.98 . . . . 0.0 110.519 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.61 -26.9 15.96 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.298 1.157 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.47 171.41 11.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.479 -0.763 . . . . 0.0 110.228 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.41 -165.8 1.62 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.507 -0.746 . . . . 0.0 110.707 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 52.74 24.3 3.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.5 -0.75 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.14 33.03 78.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.65 156.34 39.73 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -89.84 103.44 16.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.561 -0.964 . . . . 0.0 110.166 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.06 139.77 30.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.598 -0.689 . . . . 0.0 110.79 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 131.35 52.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.649 -0.657 . . . . 0.0 109.737 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.93 111.29 4.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 0.0 110.338 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' HG22 ' A' ' 69' ' ' ILE . 6.2 mt-30 -115.0 -171.25 1.91 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.57 -0.706 . . . . 0.0 109.983 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.99 131.73 51.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.78 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.719 -0.613 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -83.57 -156.71 0.21 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.16 -0.962 . . . . 0.0 110.319 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 34.8 p90 -134.49 -169.27 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.575 -0.703 . . . . 0.0 110.593 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.9 tt -145.91 130.48 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.707 -0.621 . . . . 0.0 110.087 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 m -115.06 131.1 57.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.441 -0.787 . . . . 0.0 111.25 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.51 105.67 17.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.96 -169.24 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.565 -0.709 . . . . 0.0 110.366 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -103.35 169.67 7.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.818 -0.551 . . . . 0.0 110.06 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.05 -22.42 47.72 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.339 1.178 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.04 23.73 13.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 0.0 110.294 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.2 m-85 -132.63 170.09 15.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.464 -0.772 . . . . 0.0 110.426 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -150.27 174.27 13.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.651 -0.656 . . . . 0.0 110.208 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.85 152.7 19.15 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -70.49 -35.54 73.31 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.582 -0.952 . . . . 0.0 110.098 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -105.18 25.25 10.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.68 -0.638 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.32 57.88 5.79 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.354 -0.841 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -132.41 23.26 4.4 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.385 -0.822 . . . . 0.0 110.667 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 m -133.26 97.31 3.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.262 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 t60 -60.83 121.72 13.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.483 -0.761 . . . . 0.0 110.095 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.507 -0.746 . . . . 0.0 110.273 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.208 0.528 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.5 t -66.82 -20.53 65.95 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.576 -0.703 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.94 49.66 1.82 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.384 -0.822 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.7 m -150.27 21.37 0.85 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.529 -0.732 . . . . 0.0 110.586 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 12.7 p 48.91 51.25 10.56 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.421 -0.799 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 53' ' ' SER . 49.4 Cg_endo -74.62 -48.8 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.055 0 O-C-N 123.192 1.101 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.8 m -82.86 162.6 21.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -138.31 -161.72 1.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.465 -0.772 . . . . 0.0 110.661 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 62.3 m-80 53.29 46.36 26.59 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.629 -0.669 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.08 27.83 63.04 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.86 136.39 27.34 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -89.74 103.72 16.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.515 -0.991 . . . . 0.0 109.86 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.53 150.7 22.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.643 -0.661 . . . . 0.0 110.422 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.52 138.47 34.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.736 -0.603 . . . . 0.0 109.75 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -81.79 119.68 24.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.72 . . . . 0.0 110.38 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.59 -166.05 1.53 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.686 -0.634 . . . . 0.0 110.09 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.4 155.34 34.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.169 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 56.51 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.671 -0.643 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 m -106.03 -157.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 110.346 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -120.2 -170.4 1.96 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -147.35 140.14 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.415 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 m -126.05 120.09 29.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.621 -0.674 . . . . 0.0 110.637 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.415 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 95.7 m-85 -97.39 105.11 17.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.597 -0.689 . . . . 0.0 109.433 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.1 m -111.5 -170.79 1.71 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.575 -0.703 . . . . 0.0 110.595 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.64 162.93 40.55 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.47 -16.84 52.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.33 1.174 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.45 18.64 9.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 31.1 m-85 -132.41 135.96 46.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.358 -0.839 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -135.86 -168.54 2.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.656 -0.653 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.9 156.22 20.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -59.44 -26.17 64.97 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.467 -1.019 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -132.54 40.3 3.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.517 -0.739 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 45.7 m 50.68 31.26 5.63 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.279 -0.888 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -95.21 18.41 12.38 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.573 -0.704 . . . . 0.0 110.93 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.95 142.04 36.4 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.287 -0.883 . . . . 0.0 110.723 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 68.9 m80 -94.08 121.53 35.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.677 -0.64 . . . . 0.0 109.917 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mttt . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.388 -0.82 . . . . 0.0 110.054 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.098 0.475 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.17 -16.91 13.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.699 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.5 -19.97 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.241 -0.912 . . . . 0.0 110.997 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -89.54 13.49 13.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.272 -0.892 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m 50.47 55.12 16.46 Favored Pre-proline 0 N--CA 1.502 2.145 0 O-C-N 121.071 -1.018 . . . . 0.0 111.063 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.07 -27.66 13.72 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.293 1.154 . . . . 0.0 110.484 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.9 m -87.16 172.2 10.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.521 -0.737 . . . . 0.0 110.055 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -165.47 2.11 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 111.068 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 53.41 24.35 3.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.678 -0.639 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 28.94 64.69 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.25 162.99 27.23 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.62 106.31 18.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.566 -0.961 . . . . 0.0 109.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.61 155.83 18.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.646 -0.659 . . . . 0.0 110.687 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -150.01 139.0 21.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.735 -0.603 . . . . 0.0 109.845 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.41 134.55 37.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.0 110.094 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.39 -169.18 2.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.648 -0.658 . . . . 0.0 110.168 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 153.16 40.48 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 110.217 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 56.45 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.673 -0.642 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -107.65 -160.8 0.75 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 110.222 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -114.5 -169.89 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.597 -0.69 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 69' ' ' ILE . 2.6 tt -150.11 124.93 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.706 -0.621 . . . . 0.0 110.413 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.7 m -116.63 126.46 53.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.549 -0.72 . . . . 0.0 110.81 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.87 105.37 17.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.653 -0.654 . . . . 0.0 109.253 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.1 m -70.43 172.6 8.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.544 -0.723 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -84.65 168.83 18.9 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.63 -24.21 48.44 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 O-C-N 123.3 1.158 . . . . 0.0 110.478 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.63 23.98 11.18 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.148 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.7 m-85 -135.66 166.27 23.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.399 -0.813 . . . . 0.0 110.276 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -150.09 178.97 8.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.582 -0.698 . . . . 0.0 110.223 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.23 147.48 16.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -61.43 -38.89 88.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.571 -0.958 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -103.56 25.73 9.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.583 -0.698 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.98 48.57 22.11 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.431 -0.793 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -114.45 22.25 13.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.466 -0.771 . . . . 0.0 110.661 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -125.45 149.5 48.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.368 -0.832 . . . . 0.0 110.17 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -115.3 86.26 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.603 -0.686 . . . . 0.0 110.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm . . . . . 0 N--CA 1.495 1.781 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.106 0.479 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 t -108.74 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.528 -0.732 . . . . 0.0 110.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.04 -25.78 34.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.718 . . . . 0.0 110.509 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -94.13 18.05 11.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.505 -0.747 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.0 m 50.96 67.22 4.52 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.173 -0.954 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CB ' ' CZ ' ' A' ' 68' ' ' TYR . 46.8 Cg_endo -73.12 -43.23 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.271 1.143 . . . . 0.0 110.448 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.0 m -68.43 132.61 47.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.616 -0.677 . . . . 0.0 109.685 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -132.18 -170.39 2.41 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.455 -0.778 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 72.3 m-20 53.67 45.79 27.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.52 -0.737 . . . . 0.0 110.974 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.07 28.28 66.19 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.97 150.82 22.49 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -89.92 156.51 18.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.947 . . . . 0.0 109.953 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.96 143.72 49.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.507 -0.745 . . . . 0.0 110.613 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -138.64 129.61 26.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.749 -0.595 . . . . 0.0 109.915 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.86 123.61 26.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.373 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.504 ' HG3' HG22 ' A' ' 69' ' ' ILE . 14.6 mt-30 -128.3 -178.65 4.64 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.614 -0.679 . . . . 0.0 110.09 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.8 mm? -61.43 153.81 26.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.704 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 55.88 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.693 -0.63 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -107.46 -158.64 0.66 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.122 -0.987 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CZ ' ' CB ' ' A' ' 54' ' ' PRO . 50.8 p90 -118.8 -169.86 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.601 -0.687 . . . . 0.0 110.276 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 64' ' ' GLN . 3.6 tt -149.84 129.09 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.872 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.1 m -96.95 125.98 41.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.667 -0.646 . . . . 0.0 110.053 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -89.75 105.9 18.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.484 -0.76 . . . . 0.0 109.365 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.8 m -85.79 170.87 12.03 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.598 -0.689 . . . . 0.0 110.636 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.7 mt -87.76 170.8 10.86 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -64.99 -15.01 48.45 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 O-C-N 123.169 1.089 . . . . 0.0 110.735 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.83 27.77 8.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.345 -0.847 . . . . 0.0 109.946 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' NE2' ' A' ' 84' ' ' HIS . 32.1 m-85 -137.4 164.53 28.42 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.51 -0.744 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.17 172.93 14.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.662 . . . . 0.0 110.127 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.67 25.76 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -88.19 -39.45 14.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.947 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -105.64 27.89 8.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.758 . . . . 0.0 110.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.66 26.57 11.39 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.436 -0.79 . . . . 0.0 110.284 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.432 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -76.33 -21.08 56.62 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.616 -0.677 . . . . 0.0 110.891 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -96.61 155.24 16.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.389 -0.819 . . . . 0.0 110.763 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.4 ' NE2' ' CE2' ' A' ' 76' ' ' PHE . 28.9 m80 -113.72 152.39 30.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.716 -0.615 . . . . 0.0 109.806 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm . . . . . 0 N--CA 1.495 1.796 0 O-C-N 121.377 -0.827 . . . . 0.0 110.234 179.562 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 121.107 0.48 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.23 -8.46 11.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.542 -0.724 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.83 21.88 3.89 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.12 -0.987 . . . . 0.0 111.057 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -120.0 22.4 11.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.232 -0.918 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.7 m 50.58 52.56 12.57 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.273 -0.892 . . . . 0.0 110.977 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 68' ' ' TYR . 47.5 Cg_endo -73.9 -35.56 4.25 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.294 1.155 . . . . 0.0 110.522 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -73.25 143.75 46.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.506 -0.746 . . . . 0.0 109.94 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -121.93 179.04 4.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.538 -0.726 . . . . 0.0 110.47 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 77.8 m-20 52.68 46.88 25.86 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.483 -0.761 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.7 31.95 77.13 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.2 143.2 28.25 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -89.92 122.21 32.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.638 -0.919 . . . . 0.0 109.939 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.94 143.59 26.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.581 -0.699 . . . . 0.0 110.494 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -142.33 139.96 31.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.761 -0.587 . . . . 0.0 109.835 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.16 126.32 29.78 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.609 -0.682 . . . . 0.0 110.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -129.31 -168.89 2.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.623 -0.673 . . . . 0.0 110.116 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -60.69 122.56 15.06 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 57.08 -85.07 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.787 -0.57 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 m -75.78 -157.67 0.08 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.196 -0.94 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 54' ' ' PRO . 48.4 p90 -130.13 -169.42 2.13 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.559 -0.713 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -146.48 136.36 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -102.89 111.69 24.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.84 98.38 11.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.553 -0.717 . . . . 0.0 109.647 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.2 -168.98 1.38 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.684 -0.635 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.31 162.48 42.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.096 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.28 -16.32 48.0 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.325 1.171 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.04 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 110.802 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 32.2 m-85 -122.25 154.19 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.21 -0.931 . . . . 0.0 110.241 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 -177.62 5.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.563 -0.711 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.96 153.29 11.4 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.0 -31.09 70.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.608 -0.936 . . . . 0.0 110.103 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -128.89 40.73 3.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.606 -0.684 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.8 m 53.48 48.38 21.93 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.397 -0.814 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -116.93 24.94 10.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.531 -0.73 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.1 m -141.03 105.38 4.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.492 -0.755 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.471 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.8 t-160 -77.53 113.61 15.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.571 -0.706 . . . . 0.0 110.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.558 -0.714 . . . . 0.0 110.156 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.078 0.466 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -85.46 108.98 18.15 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.652 -0.655 . . . . 0.0 110.187 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.54 -136.15 3.26 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -116.43 119.59 36.13 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.619 -0.93 . . . . 0.0 110.346 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -115.88 28.3 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.554 -0.716 . . . . 0.0 110.208 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 t -139.8 32.48 2.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.583 -0.698 . . . . 0.0 110.236 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.03 21.14 4.4 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.48 -0.763 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.6 p -139.1 27.11 2.39 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.318 -0.864 . . . . 0.0 110.463 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.8 m 51.98 65.19 6.61 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.306 -0.871 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -73.1 -31.79 9.25 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.251 1.132 . . . . 0.0 110.446 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 94.0 m -101.36 160.55 14.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.646 -0.659 . . . . 0.0 110.171 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.99 -164.55 1.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.548 -0.72 . . . . 0.0 110.802 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.422 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 54.4 m-20 53.77 47.14 24.34 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.594 -0.691 . . . . 0.0 110.979 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.96 63.31 Favored Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.94 133.21 31.54 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.4 m -89.74 102.1 14.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.53 -0.983 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.9 t -89.68 147.74 23.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.773 -0.579 . . . . 0.0 110.545 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -139.01 135.59 34.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.734 -0.604 . . . . 0.0 110.002 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -72.0 119.69 16.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.561 -0.712 . . . . 0.0 110.24 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -126.89 -178.76 4.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.593 -0.692 . . . . 0.0 110.233 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.69 148.95 41.05 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.58 -0.7 . . . . 0.0 110.067 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 56.55 -86.04 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.701 -0.625 . . . . 0.0 110.76 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.1 m -103.4 -159.48 0.72 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.072 -1.018 . . . . 0.0 110.177 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -120.52 -169.93 1.9 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.544 -0.723 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 2.7 tt -147.02 137.71 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.666 -0.646 . . . . 0.0 110.409 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 m -118.45 118.77 32.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.4 m-85 -94.53 107.71 19.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.694 -0.629 . . . . 0.0 109.533 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 78.4 m -113.58 -170.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.657 . . . . 0.0 110.525 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -98.31 163.14 19.77 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.665 -0.647 . . . . 0.0 110.144 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.73 -15.29 46.96 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 O-C-N 123.291 1.153 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.98 15.32 11.71 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.316 -0.865 . . . . 0.0 110.682 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -131.46 142.67 50.04 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.285 -0.884 . . . . 0.0 110.273 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -136.91 -168.3 2.25 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.616 -0.678 . . . . 0.0 110.422 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 109.36 159.14 18.51 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -28.24 67.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.508 -0.995 . . . . 0.0 110.191 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -138.19 46.54 2.04 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.604 -0.685 . . . . 0.0 109.857 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 97.0 m 52.65 27.53 5.29 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.472 -0.767 . . . . 0.0 110.841 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.87 17.17 10.98 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.645 -0.659 . . . . 0.0 110.738 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 80.3 m -140.64 127.45 20.49 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.408 -0.808 . . . . 0.0 110.25 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 6.6 t60 -84.96 128.71 34.74 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.597 -0.689 . . . . 0.0 110.059 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -77.73 61.7 2.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.551 -0.718 . . . . 0.0 110.198 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -86.21 -29.04 23.5 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.444 -0.785 . . . . 0.0 110.164 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 52.69 78.32 0.14 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.357 -0.839 . . . . 0.0 110.814 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.69 -105.01 2.95 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.8 m -84.54 -40.05 18.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.465 -1.02 . . . . 0.0 110.163 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.267 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.049 0.452 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.37 175.76 5.33 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.62 -0.675 . . . . 0.0 110.234 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.98 -167.87 1.26 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -136.93 137.96 40.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.531 -0.982 . . . . 0.0 110.252 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 10.5 mt-30 -142.4 29.07 1.62 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.504 -0.748 . . . . 0.0 110.238 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.3 t -158.35 57.07 0.46 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.591 -0.693 . . . . 0.0 109.798 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.07 -28.18 19.19 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.542 -0.724 . . . . 0.0 110.728 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.07 -76.33 0.58 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.487 -0.758 . . . . 0.0 110.441 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.3 p -174.65 79.61 0.34 Allowed Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.393 -0.817 . . . . 0.0 110.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.35 -28.95 11.81 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 O-C-N 123.324 1.171 . . . . 0.0 110.363 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 67.5 m -65.49 172.59 3.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.541 -0.724 . . . . 0.0 109.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -125.83 177.84 6.06 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.452 -0.78 . . . . 0.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 53.04 29.34 7.88 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.505 -0.747 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.92 29.0 71.23 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.42 170.65 30.6 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -95.0 118.75 32.36 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.572 -0.958 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.5 t -89.97 138.89 31.13 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.618 -0.676 . . . . 0.0 110.477 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.1 mttp -128.16 122.97 33.2 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.633 -0.667 . . . . 0.0 109.745 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -79.39 92.48 5.21 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.619 -0.676 . . . . 0.0 110.176 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -89.91 -169.14 2.34 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.545 -0.722 . . . . 0.0 110.215 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.24 146.57 48.91 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.593 -0.692 . . . . 0.0 110.146 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 56.67 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.713 -0.617 . . . . 0.0 110.788 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.5 p -93.23 -157.48 0.54 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.098 -1.001 . . . . 0.0 110.181 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 44.3 p90 -132.04 -171.09 2.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.518 -0.738 . . . . 0.0 110.167 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 69' ' ' ILE . 2.9 tt -148.74 122.4 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.59 -0.694 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -95.75 121.15 37.16 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.592 -0.693 . . . . 0.0 110.293 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.46 ' O ' ' H61' ' A' ' 91' ' ' FUC . 42.9 m-85 -89.79 106.47 18.49 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.73 . . . . 0.0 109.528 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 40.1 m -77.39 164.81 25.15 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.624 -0.672 . . . . 0.0 110.545 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -78.0 169.75 19.45 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.707 -0.621 . . . . 0.0 109.677 179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 40.2 Cg_endo -65.87 -20.7 58.18 Favored 'Trans proline' 0 C--N 1.317 -1.093 0 O-C-N 123.256 1.135 . . . . 0.0 110.408 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.69 27.5 9.6 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 109.977 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 41.1 m-85 -138.72 160.02 40.68 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.493 -0.754 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -150.15 -169.81 3.48 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.716 -0.615 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.65 151.69 17.01 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -60.35 -26.41 66.57 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.549 -0.971 . . . . 0.0 110.477 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -124.44 28.58 6.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.403 -0.811 . . . . 0.0 110.238 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 55.71 47.84 19.66 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.411 -0.805 . . . . 0.0 110.347 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -118.5 25.23 10.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.447 -0.783 . . . . 0.0 110.656 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.6 m -140.38 147.08 39.24 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.453 -0.78 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -91.58 136.67 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.62 -0.675 . . . . 0.0 110.043 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -82.51 -72.05 0.46 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.552 -0.718 . . . . 0.0 110.206 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -131.93 37.1 3.63 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.6 -0.688 . . . . 0.0 110.28 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -83.19 -64.23 1.21 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.544 -0.723 . . . . 0.0 110.251 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.25 158.61 0.18 Allowed Glycine 0 N--CA 1.493 2.479 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.2 t 55.61 -86.75 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.723 -0.869 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.264 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.46 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.169 0.509 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -121.17 -39.21 2.71 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.549 -0.72 . . . . 0.0 110.266 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.4 -169.64 22.2 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -97.07 90.57 5.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.618 -0.931 . . . . 0.0 110.193 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -121.05 -58.7 1.79 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.549 -0.719 . . . . 0.0 110.198 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 33.6 t -101.53 26.2 7.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.531 -0.731 . . . . 0.0 110.22 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.94 28.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.378 -0.826 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.5 m -114.23 25.28 11.22 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.555 -0.715 . . . . 0.0 110.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.8 m 51.51 77.72 0.44 Allowed Pre-proline 0 N--CA 1.501 2.082 0 O-C-N 121.364 -0.835 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 47.1 Cg_endo -72.65 -27.87 14.75 Favored 'Trans proline' 0 C--N 1.318 -1.072 0 O-C-N 123.345 1.182 . . . . 0.0 110.464 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.3 m -62.54 -178.47 0.19 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.526 -0.734 . . . . 0.0 109.66 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -146.56 176.83 9.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.478 -0.764 . . . . 0.0 110.567 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 52.94 33.81 15.43 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.467 -0.77 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.55 28.92 70.48 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.46 171.8 28.56 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.0 115.82 28.11 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.606 -0.938 . . . . 0.0 110.124 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.2 t -89.95 126.09 35.61 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.704 -0.623 . . . . 0.0 110.389 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.518 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 mptm? -119.61 144.07 47.33 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.625 -0.672 . . . . 0.0 109.72 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 108.33 21.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.551 -0.718 . . . . 0.0 110.379 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -90.01 -167.36 1.82 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.525 -0.734 . . . . 0.0 109.971 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -77.23 -67.95 0.66 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.441 -0.787 . . . . 0.0 110.903 -179.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -66.36 -69.24 0.31 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.523 -0.736 . . . . 0.0 110.714 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -118.19 -151.91 0.49 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.441 -0.787 . . . . 0.0 110.097 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -112.36 -176.19 2.86 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.442 -0.787 . . . . 0.0 110.072 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.55 ' O ' HG23 ' A' ' 69' ' ' ILE . 2.9 tt -150.4 119.84 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.606 -0.683 . . . . 0.0 110.691 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.7 m -96.67 118.4 33.06 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.516 -0.74 . . . . 0.0 110.112 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 39.3 m-85 -89.61 112.53 23.78 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.542 -0.724 . . . . 0.0 109.479 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 47.7 m -89.46 -179.34 5.8 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 110.425 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 3.3 mt -91.88 169.4 11.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.667 -0.646 . . . . 0.0 109.763 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HD2' HD23 ' A' ' 73' ' ' LEU . 41.2 Cg_endo -66.76 -14.46 43.92 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.309 1.163 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.35 24.26 12.43 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.229 -0.919 . . . . 0.0 110.299 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -132.91 165.95 23.47 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.447 -0.783 . . . . 0.0 110.507 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.11 178.64 8.78 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.632 -0.668 . . . . 0.0 110.089 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.47 163.81 20.85 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -77.51 -23.81 50.17 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.621 -0.929 . . . . 0.0 110.588 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -119.83 26.46 9.31 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.398 -0.814 . . . . 0.0 110.387 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.5 m 54.03 42.25 31.7 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.362 -0.836 . . . . 0.0 110.512 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.27 -18.89 13.98 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.563 -0.711 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -86.59 149.23 25.08 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -113.51 112.77 24.13 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.566 -0.709 . . . . 0.0 110.134 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -67.38 95.06 0.42 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.591 -0.693 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -91.95 88.54 6.63 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.595 -0.691 . . . . 0.0 110.277 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 52.91 -174.77 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.439 -0.788 . . . . 0.0 110.787 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.44 -141.34 11.34 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -90.46 -30.01 17.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.55 -0.971 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.165 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.049 0.452 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -106.35 29.62 6.68 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.241 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.57 -174.3 18.98 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -129.33 95.98 4.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.584 -0.951 . . . . 0.0 110.203 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 2.2 mp0 -113.17 -27.32 8.05 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.586 -0.696 . . . . 0.0 110.301 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 27.1 8.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.479 -0.763 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.03 -27.56 19.65 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.685 . . . . 0.0 110.47 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.8 m -112.22 26.57 10.45 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.511 -0.743 . . . . 0.0 110.532 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 p 46.18 80.04 0.31 Allowed Pre-proline 0 N--CA 1.503 2.201 0 O-C-N 121.619 -0.676 . . . . 0.0 111.511 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -72.53 -27.05 16.06 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.31 1.163 . . . . 0.0 110.591 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.0 m -97.58 -178.45 4.13 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.499 -0.751 . . . . 0.0 110.269 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -129.89 -166.25 1.64 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.516 -0.74 . . . . 0.0 110.765 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' CE1' ' A' ' 76' ' ' PHE . 69.1 m-80 54.25 30.02 11.68 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.482 -0.761 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.33 31.8 70.77 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.986 -1.246 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.23 151.59 45.26 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.7 m -89.71 104.54 17.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.591 -0.947 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -89.54 118.7 29.37 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.571 -0.706 . . . . 0.0 110.429 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -106.45 140.75 38.87 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.577 -0.702 . . . . 0.0 110.012 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.12 91.32 7.65 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.605 -0.685 . . . . 0.0 110.116 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -89.98 -169.01 2.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.654 -0.654 . . . . 0.0 110.133 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.06 148.08 46.16 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.564 -0.71 . . . . 0.0 110.198 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 56.62 -85.94 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.649 -0.657 . . . . 0.0 110.774 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.3 t -95.27 -159.06 0.69 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.095 -1.003 . . . . 0.0 110.18 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 50.4 p90 -129.06 -170.46 2.28 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.408 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.08 141.84 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.653 -0.654 . . . . 0.0 110.491 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -114.23 109.41 18.34 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.5 -0.75 . . . . 0.0 110.373 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.513 ' O ' ' H61' ' A' ' 91' ' ' FUC . 69.2 m-85 -90.46 99.83 12.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 83.0 m -103.94 -169.56 1.65 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.636 -0.665 . . . . 0.0 110.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 mp -88.96 163.35 35.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.659 -0.651 . . . . 0.0 110.062 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.84 -10.08 27.67 Favored 'Trans proline' 0 N--CA 1.487 1.125 0 O-C-N 123.354 1.186 . . . . 0.0 111.347 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.28 -17.41 29.04 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.2 -0.938 . . . . 0.0 110.542 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' CE1' ' OD1' ' A' ' 57' ' ' ASN . 30.1 m-85 -97.61 159.36 14.97 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.333 -0.855 . . . . 0.0 110.302 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.05 179.18 8.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.542 -0.724 . . . . 0.0 110.214 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.73 155.23 14.09 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -61.11 -38.83 87.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.532 -0.981 . . . . 0.0 110.135 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -114.81 33.12 5.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.611 -0.681 . . . . 0.0 110.019 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 25.6 m 53.49 52.79 12.68 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.359 -0.838 . . . . 0.0 110.623 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -118.31 26.01 9.91 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.535 -0.728 . . . . 0.0 110.36 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 37.2 m -137.29 118.37 14.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.523 -0.735 . . . . 0.0 110.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -85.24 89.89 7.76 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -82.85 100.82 10.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.493 -0.754 . . . . 0.0 110.252 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.27 79.83 8.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.545 -0.722 . . . . 0.0 110.26 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.0 p30 -168.32 -165.33 0.59 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.8 118.69 5.01 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.46 47.18 1.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.548 -0.972 . . . . 0.0 110.214 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.21 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.513 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.087 0.47 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -92.49 48.78 1.41 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.597 -0.689 . . . . 0.0 110.22 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.63 56.78 0.4 Allowed Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -126.02 28.92 5.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.578 -0.954 . . . . 0.0 110.186 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -90.96 -23.55 20.4 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.617 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 32.0 t -103.07 27.17 7.39 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.516 -0.74 . . . . 0.0 110.081 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.08 -24.61 37.66 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.531 -0.731 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.73 19.93 10.53 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.412 -0.805 . . . . 0.0 110.735 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 51.41 71.28 1.56 Allowed Pre-proline 0 N--CA 1.502 2.13 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -73.45 -45.15 0.44 Allowed 'Trans proline' 0 C--N 1.317 -1.103 0 O-C-N 123.368 1.194 . . . . 0.0 110.457 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -82.78 156.55 23.63 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.641 -0.662 . . . . 0.0 110.122 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -146.5 -155.64 0.64 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.544 -0.722 . . . . 0.0 110.461 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 54.31 46.04 25.99 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.377 -0.827 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.43 28.49 64.87 Favored Glycine 0 N--CA 1.495 2.594 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.02 141.49 19.31 Favored Glycine 0 N--CA 1.493 2.437 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m -89.85 140.59 29.45 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.545 -0.973 . . . . 0.0 109.829 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.4 t -118.79 156.9 28.59 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.524 -0.735 . . . . 0.0 110.557 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.93 141.73 24.61 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.668 -0.645 . . . . 0.0 109.853 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.71 140.34 35.64 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.529 -0.732 . . . . 0.0 110.203 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' A' ' 69' ' ' ILE . 26.7 mt-30 -144.05 -168.92 2.99 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.586 -0.696 . . . . 0.0 110.094 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 mp -75.71 148.24 38.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.526 -0.734 . . . . 0.0 110.155 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 56.49 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.641 -0.662 . . . . 0.0 110.803 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.73 -166.47 1.34 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.13 -0.981 . . . . 0.0 110.221 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -114.71 -170.4 1.73 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.8 tt -150.26 137.69 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.649 -0.657 . . . . 0.0 110.387 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.5 m -120.94 143.04 49.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.553 -0.717 . . . . 0.0 110.632 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' O ' ' H61' ' A' ' 91' ' ' FUC . 65.3 m-85 -111.64 104.48 12.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.635 -0.666 . . . . 0.0 109.446 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 73.6 m -110.16 -171.92 1.93 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.573 -0.704 . . . . 0.0 110.576 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.91 162.83 23.84 Favored Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.671 -0.643 . . . . 0.0 110.207 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.39 -13.62 40.67 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 O-C-N 123.317 1.167 . . . . 0.0 110.775 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' HA ' ' HB2' ' A' ' 85' ' ' LYS . . . -91.97 17.02 9.88 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.275 -0.891 . . . . 0.0 110.612 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -134.17 154.4 51.25 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.249 -0.907 . . . . 0.0 110.674 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.713 ' O ' HG22 ' A' ' 83' ' ' THR . 1.3 tt0 -147.64 179.84 7.4 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.772 -0.58 . . . . 0.0 110.255 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.31 154.42 17.43 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -25.75 63.29 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.506 -0.996 . . . . 0.0 110.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -128.57 29.1 5.34 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.426 -0.796 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 71.7 m 52.91 53.46 12.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.433 -0.792 . . . . 0.0 110.618 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -99.45 -23.09 15.24 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.662 -0.649 . . . . 0.0 110.908 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 77' ' ' GLU . 9.9 t -103.18 168.51 9.13 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.372 -0.83 . . . . 0.0 111.008 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -111.53 160.08 17.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.665 -0.647 . . . . 0.0 109.718 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 75' ' ' ALA . 13.5 mtpp -119.61 120.51 36.91 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.464 -0.772 . . . . 0.0 110.15 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -114.86 49.19 1.06 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.575 -0.703 . . . . 0.0 110.231 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 89.25 7.92 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.587 -0.696 . . . . 0.0 110.162 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 94.96 -93.82 1.68 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 52.85 94.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.382 -1.07 . . . . 0.0 110.723 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.208 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.464 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.0 p . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.105 0.478 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -86.04 97.97 10.58 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 110.215 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.25 121.63 0.01 OUTLIER Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -110.64 85.61 2.15 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.563 -0.963 . . . . 0.0 110.229 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -97.86 28.95 3.62 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.598 -0.689 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 39.0 t -132.28 43.9 2.95 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.522 -0.736 . . . . 0.0 109.944 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.16 -26.1 36.3 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.55 -0.719 . . . . 0.0 110.495 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -115.79 24.47 11.48 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.466 -0.771 . . . . 0.0 110.652 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.0 t 51.11 84.85 0.2 Allowed Pre-proline 0 N--CA 1.501 2.118 0 O-C-N 121.244 -0.91 . . . . 0.0 110.986 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.429 ' CG ' ' CE2' ' A' ' 68' ' ' TYR . 46.7 Cg_endo -73.4 -28.38 12.29 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.417 1.219 . . . . 0.0 110.562 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.83 178.42 0.46 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.523 -0.735 . . . . 0.0 109.725 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.1 173.18 12.42 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.524 -0.735 . . . . 0.0 110.526 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 53.0 41.57 32.18 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.438 -0.789 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.79 69.65 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.894 -1.282 . . . . 0.0 109.894 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.33 163.81 41.94 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -97.03 115.17 26.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.969 . . . . 0.0 110.054 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.81 144.49 25.92 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.586 -0.696 . . . . 0.0 110.385 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.04 124.68 16.85 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.675 -0.64 . . . . 0.0 110.04 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.08 120.13 16.2 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.654 -0.654 . . . . 0.0 110.167 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.8 -172.47 2.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.687 -0.633 . . . . 0.0 110.186 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mp -61.23 138.1 58.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.556 -0.715 . . . . 0.0 110.191 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 56.53 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.659 -0.65 . . . . 0.0 110.808 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -91.15 -158.12 0.54 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.04 -1.037 . . . . 0.0 110.247 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.429 ' CE2' ' CG ' ' A' ' 54' ' ' PRO . 48.4 p90 -129.46 -168.64 1.97 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.572 -0.705 . . . . 0.0 110.376 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.9 tt -147.08 134.15 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.668 -0.645 . . . . 0.0 110.718 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.9 m -102.88 117.47 34.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.599 -0.688 . . . . 0.0 110.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -89.89 94.0 9.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.512 -0.743 . . . . 0.0 109.514 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.4 m -71.45 175.56 5.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.65 . . . . 0.0 110.382 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.5 mt -82.76 170.51 14.38 Favored Pre-proline 0 N--CA 1.493 1.703 0 O-C-N 121.779 -0.576 . . . . 0.0 109.663 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 39.8 Cg_endo -65.96 -21.99 56.15 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 O-C-N 123.196 1.103 . . . . 0.0 110.468 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.83 25.92 10.27 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.417 -0.802 . . . . 0.0 109.991 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 34.9 m-85 -135.47 162.08 33.66 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.532 -0.73 . . . . 0.0 110.2 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -150.16 175.18 11.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.559 -0.713 . . . . 0.0 110.12 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.46 154.28 18.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.4 -43.79 97.99 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.609 -0.936 . . . . 0.0 110.089 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -104.92 27.83 7.74 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.672 . . . . 0.0 110.089 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.1 m 55.55 47.34 21.08 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.448 -0.783 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -114.04 25.28 11.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.592 -0.693 . . . . 0.0 110.581 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -133.17 85.89 2.25 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.521 -0.737 . . . . 0.0 110.193 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.8 t-160 -61.96 119.93 9.8 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.606 -0.684 . . . . 0.0 110.106 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -84.28 94.5 8.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.529 -0.732 . . . . 0.0 110.222 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -146.07 80.23 1.57 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.556 -0.715 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.34 109.21 19.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.616 -0.678 . . . . 0.0 110.17 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.27 -117.0 4.01 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 66.0 m 52.85 87.81 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.479 -1.012 . . . . 0.0 110.787 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.709 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 121.156 0.503 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -115.82 149.28 38.84 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.576 -0.703 . . . . 0.0 110.249 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.95 72.59 0.07 OUTLIER Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -150.01 -41.15 0.14 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.563 -0.963 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.49 -26.24 66.67 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.336 -0.853 . . . . 0.0 110.433 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.2 t -112.07 32.02 5.82 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.528 -0.732 . . . . 0.0 110.083 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.91 -24.61 30.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.56 -0.713 . . . . 0.0 110.602 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.7 t -95.38 19.34 10.97 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.436 -0.79 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.1 m 51.07 72.99 1.06 Allowed Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.254 -0.904 . . . . 0.0 111.002 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -73.81 -40.62 1.34 Allowed 'Trans proline' 0 C--N 1.317 -1.095 0 O-C-N 123.338 1.178 . . . . 0.0 110.401 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.0 m -87.02 172.35 10.05 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.564 -0.71 . . . . 0.0 110.334 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -157.33 -159.16 0.82 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.556 -0.715 . . . . 0.0 110.296 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 94.0 m-20 53.53 48.04 22.63 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.415 -0.803 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.75 29.84 71.12 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.53 133.08 12.64 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.4 m -89.87 104.38 16.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.611 -0.935 . . . . 0.0 110.058 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 45.9 t -89.78 151.82 21.61 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.557 -0.714 . . . . 0.0 110.584 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.8 149.79 35.0 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.661 -0.649 . . . . 0.0 109.921 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -81.92 122.8 28.22 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.637 -0.664 . . . . 0.0 110.465 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -109.68 -167.72 1.24 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.574 -0.704 . . . . 0.0 110.081 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 65' ' ' LEU . 2.0 mm? -57.12 -75.19 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.484 -0.76 . . . . 0.0 110.856 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -90.12 -77.12 0.41 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.41 -0.806 . . . . 0.0 110.547 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 81.7 p -83.39 -161.61 0.53 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.42 -0.8 . . . . 0.0 110.17 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -112.94 -171.9 1.95 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.61 -0.681 . . . . 0.0 110.155 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -150.12 135.87 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.623 -0.673 . . . . 0.0 110.305 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 61.6 m -119.1 120.14 36.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.552 -0.718 . . . . 0.0 110.62 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 69' ' ' ILE . 96.6 m-85 -96.01 110.21 22.48 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.709 -0.619 . . . . 0.0 109.748 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.9 m -115.84 -173.47 2.35 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.472 -0.767 . . . . 0.0 110.482 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.1 mt -86.81 164.2 37.9 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.665 -0.647 . . . . 0.0 110.26 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.44 -15.76 46.1 Favored 'Trans proline' 0 C--N 1.318 -1.06 0 O-C-N 123.384 1.202 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.81 12.9 15.83 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.309 -0.869 . . . . 0.0 110.679 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.0 m-85 -124.74 148.36 48.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.242 -0.911 . . . . 0.0 110.165 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -140.6 172.61 12.47 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.634 -0.666 . . . . 0.0 110.189 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.44 171.51 17.21 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -83.12 -28.92 29.1 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.581 -0.953 . . . . 0.0 110.246 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -119.58 29.11 7.77 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.562 -0.711 . . . . 0.0 110.14 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 37.7 m 53.1 53.96 11.11 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.505 -0.747 . . . . 0.0 110.754 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 2.2 pm0 -107.66 -19.29 13.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.532 -0.73 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.8 m -95.89 144.36 26.29 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.386 -0.821 . . . . 0.0 110.266 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.4 t-160 -114.43 99.36 7.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.598 -0.689 . . . . 0.0 110.229 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -61.43 95.08 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.54 -0.725 . . . . 0.0 110.183 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -83.64 88.01 7.04 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.614 -0.679 . . . . 0.0 110.206 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -72.49 -28.64 63.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.605 -0.685 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -124.39 141.74 13.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.8 p -86.45 150.07 24.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.594 -0.945 . . . . 0.0 110.244 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.191 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.083 0.468 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.0 p30 -137.15 162.75 32.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.598 -0.689 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.66 132.09 15.38 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -91.64 117.54 29.83 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.531 -0.982 . . . . 0.0 110.237 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -110.19 28.2 8.86 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.9 t -130.62 42.5 3.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.539 -0.726 . . . . 0.0 110.009 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.31 -27.3 29.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.615 -0.678 . . . . 0.0 110.507 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.56 21.89 11.9 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.441 -0.787 . . . . 0.0 110.73 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m 50.71 83.05 0.23 Allowed Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.169 -0.957 . . . . 0.0 111.025 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.88 -26.74 15.24 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 O-C-N 123.375 1.198 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.1 m -61.24 163.47 6.33 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.512 -0.743 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -139.48 177.73 7.72 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.506 -0.747 . . . . 0.0 110.527 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 53.05 46.43 26.74 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.41 -0.806 . . . . 0.0 111.03 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.35 31.94 75.53 Favored Glycine 0 N--CA 1.496 2.659 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.21 149.02 36.78 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.4 m -89.84 122.81 33.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.91 . . . . 0.0 109.846 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.8 t -89.98 133.81 34.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.572 -0.705 . . . . 0.0 110.572 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.451 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -128.39 124.5 36.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.651 -0.655 . . . . 0.0 109.724 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.03 89.84 5.38 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.58 -0.7 . . . . 0.0 110.109 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -90.03 -169.06 2.31 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.565 -0.709 . . . . 0.0 110.086 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.65 146.83 51.35 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.509 -0.745 . . . . 0.0 110.243 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 56.35 -86.13 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.707 -0.621 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.26 -157.87 0.6 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.169 -0.957 . . . . 0.0 110.135 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -129.33 -170.82 2.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.483 -0.761 . . . . 0.0 110.252 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -148.44 131.09 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.699 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.6 m -97.89 108.96 21.79 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.567 -0.708 . . . . 0.0 110.209 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -89.81 112.47 23.81 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.509 -0.745 . . . . 0.0 109.738 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 77.1 m -123.14 -169.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.557 -0.715 . . . . 0.0 110.617 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.51 163.34 47.56 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.728 -0.608 . . . . 0.0 110.042 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.65 -10.25 28.14 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.39 1.205 . . . . 0.0 111.354 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.35 -17.54 28.67 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.183 -0.948 . . . . 0.0 110.561 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 36.0 m-85 -101.64 155.51 18.06 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.265 -0.897 . . . . 0.0 110.213 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.94 174.59 12.52 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.567 -0.708 . . . . 0.0 110.263 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.57 160.41 13.89 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -60.82 -45.18 95.45 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.488 -1.007 . . . . 0.0 110.131 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -108.7 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.598 -0.689 . . . . 0.0 109.958 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 53.7 m 53.81 54.68 9.49 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.46 -0.775 . . . . 0.0 110.69 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -117.42 25.05 10.71 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.547 -0.721 . . . . 0.0 110.419 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.0 m -135.83 117.52 15.0 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.52 -0.737 . . . . 0.0 110.108 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.3 t60 -81.68 89.97 6.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.537 -0.727 . . . . 0.0 110.196 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -86.62 80.65 8.51 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.574 -0.703 . . . . 0.0 110.265 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -101.45 30.82 4.04 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.578 -0.701 . . . . 0.0 110.152 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -132.7 114.9 14.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.655 -0.653 . . . . 0.0 110.183 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -135.89 -84.69 0.18 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.95 -49.24 0.51 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.547 -0.973 . . . . 0.0 110.205 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.183 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -94.61 85.01 4.39 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.5 -0.75 . . . . 0.0 110.175 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.32 -61.5 0.03 OUTLIER Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -90.0 75.93 7.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.539 -0.977 . . . . 0.0 110.19 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -113.42 -29.66 7.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.559 -0.713 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 33.9 t -111.24 31.47 6.06 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.523 -0.736 . . . . 0.0 109.939 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.97 -24.46 32.96 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.551 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.4 p -91.99 16.6 10.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.393 -0.817 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 t 51.04 71.93 1.38 Allowed Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.134 -0.979 . . . . 0.0 110.982 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.61 -47.95 0.27 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 O-C-N 123.24 1.126 . . . . 0.0 110.427 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.3 m -82.66 160.65 22.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.573 -0.704 . . . . 0.0 110.165 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -147.78 -154.19 0.54 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.483 -0.76 . . . . 0.0 110.525 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 54.5 43.7 29.91 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.397 -0.814 . . . . 0.0 110.96 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.26 29.14 65.39 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.39 146.51 21.77 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -89.79 144.54 25.88 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 109.852 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.95 157.71 33.71 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.593 -0.692 . . . . 0.0 110.554 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -150.03 170.89 17.8 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.63 -0.669 . . . . 0.0 109.855 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.85 127.91 54.14 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.576 -0.703 . . . . 0.0 110.339 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -111.28 -168.2 1.28 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.551 -0.718 . . . . 0.0 110.153 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.21 -77.35 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.647 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -81.7 -76.97 0.23 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.467 -0.771 . . . . 0.0 110.37 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -87.7 -158.27 0.45 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.767 . . . . 0.0 110.083 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -115.77 -170.77 1.85 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.596 -0.69 . . . . 0.0 110.215 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 tt -150.11 139.5 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.6 m -118.52 143.48 46.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.532 -0.73 . . . . 0.0 110.727 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.495 ' O ' ' H61' ' A' ' 91' ' ' FUC . 98.2 m-85 -118.37 103.07 9.44 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.73 -0.606 . . . . 0.0 109.701 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 82.7 m -110.62 -170.04 1.57 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.493 -0.754 . . . . 0.0 110.467 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.47 164.63 34.39 Favored Pre-proline 0 N--CA 1.493 1.679 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.42 -18.11 49.37 Favored 'Trans proline' 0 C--N 1.317 -1.13 0 O-C-N 123.337 1.177 . . . . 0.0 110.758 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.97 14.07 13.14 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.355 -0.841 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.488 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.4 m-85 -127.59 140.53 52.05 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.206 -0.934 . . . . 0.0 110.243 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -135.39 -177.8 4.82 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.667 -0.646 . . . . 0.0 110.242 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 110.53 153.88 13.76 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -60.89 -31.84 71.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.566 -0.961 . . . . 0.0 110.1 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -122.93 35.24 4.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.644 -0.66 . . . . 0.0 110.03 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.6 m 52.89 38.51 27.09 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.415 -0.803 . . . . 0.0 110.731 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -108.34 25.16 11.99 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.72 . . . . 0.0 110.496 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.6 m -136.99 91.54 2.64 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.508 -0.745 . . . . 0.0 110.359 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.7 t60 -61.77 116.97 5.25 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.554 -0.717 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -60.67 -80.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.522 -0.736 . . . . 0.0 110.291 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -178.64 -38.0 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.318 -0.864 . . . . 0.0 109.156 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -168.72 -164.93 0.52 Allowed 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.199 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.9 119.27 3.85 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -83.66 -71.33 0.51 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.602 -0.94 . . . . 0.0 110.232 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.26 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.495 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.118 0.485 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -163.09 116.75 1.63 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.487 -0.758 . . . . 0.0 110.305 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 170.66 36.9 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.14 97.35 6.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.578 -0.954 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 39.8 mt-30 -106.75 -29.03 9.8 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.621 -0.674 . . . . 0.0 110.15 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 75.6 m -113.31 32.43 5.76 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.626 -0.671 . . . . 0.0 110.05 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.37 -44.27 37.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.669 -0.644 . . . . 0.0 110.373 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -100.85 22.97 11.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.562 -0.712 . . . . 0.0 110.711 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.6 t 50.91 79.69 0.33 Allowed Pre-proline 0 N--CA 1.5 2.07 0 O-C-N 121.272 -0.892 . . . . 0.0 110.943 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.82 -28.55 13.44 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 O-C-N 123.296 1.156 . . . . 0.0 110.399 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.9 m -61.64 172.3 1.28 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.553 -0.717 . . . . 0.0 109.924 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -128.38 175.58 8.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.469 -0.769 . . . . 0.0 110.262 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 52.6 35.23 17.55 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.449 -0.782 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.88 30.13 76.27 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.15 156.15 53.55 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 m -91.33 119.32 31.26 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.586 -0.949 . . . . 0.0 110.135 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 16.8 t -89.98 127.04 35.96 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.585 -0.697 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -115.39 142.03 47.25 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.554 -0.717 . . . . 0.0 110.183 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.47 112.48 21.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.573 -0.704 . . . . 0.0 110.169 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -112.87 -169.16 1.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.608 -0.683 . . . . 0.0 110.214 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' NE2' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -68.64 146.31 53.14 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.502 -0.749 . . . . 0.0 110.056 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.611 ' NE2' HD12 ' A' ' 65' ' ' LEU . 1.5 mp0 56.96 -85.8 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.585 -0.697 . . . . 0.0 110.715 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 m -98.49 -159.43 0.74 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.131 -0.981 . . . . 0.0 110.199 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 51.6 p90 -124.47 -168.03 1.74 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.64 -0.662 . . . . 0.0 110.335 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -149.4 146.37 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.672 -0.642 . . . . 0.0 110.559 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.1 m -108.63 121.07 44.23 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.535 -0.728 . . . . 0.0 110.455 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -89.71 100.68 13.44 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.92 -178.6 6.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 110.439 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.424 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.6 mt -94.24 170.11 8.77 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.711 -0.618 . . . . 0.0 109.807 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -66.35 -18.8 55.74 Favored 'Trans proline' 0 C--N 1.315 -1.206 0 O-C-N 123.273 1.144 . . . . 0.0 110.707 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.42 24.15 13.02 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.332 -0.855 . . . . 0.0 110.198 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.6 m-85 -135.04 168.14 19.66 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.507 -0.745 . . . . 0.0 110.208 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.17 173.41 13.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.585 -0.697 . . . . 0.0 110.255 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 107.63 147.77 13.72 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.621 -1.391 . . . . 0.0 109.621 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -61.09 -41.43 96.66 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.588 -0.948 . . . . 0.0 110.026 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -106.89 28.98 7.45 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.59 -0.694 . . . . 0.0 110.026 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 57.1 m 55.84 48.47 18.07 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.419 -0.8 . . . . 0.0 110.334 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.69 22.01 15.46 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.522 -0.736 . . . . 0.0 110.673 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.1 m -137.63 103.36 5.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 110.139 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.2 t-160 -76.48 119.68 20.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.65 -0.656 . . . . 0.0 110.157 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -83.65 -72.12 0.47 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.532 -0.73 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' OD1' ' CD2' ' A' ' 84' ' ' HIS . 2.2 m-20 57.02 -84.97 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.656 -0.653 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.1 t70 55.87 -87.63 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.187 -0.945 . . . . 0.0 110.759 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.07 -92.53 1.65 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.9 p -160.73 148.13 15.72 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.622 -0.928 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.229 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.123 0.487 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -89.13 -28.46 20.04 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.554 -0.716 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.52 178.46 40.73 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -89.94 97.21 11.06 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.543 -0.975 . . . . 0.0 110.17 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -134.73 -56.24 0.83 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.608 -0.683 . . . . 0.0 110.226 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 5.5 t -104.97 27.37 8.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.505 -0.747 . . . . 0.0 110.191 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.81 18.75 6.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.496 -0.753 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.7 m -137.07 25.42 3.0 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.256 -0.903 . . . . 0.0 110.442 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.3 m 51.8 61.26 12.72 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 111.005 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.58 -22.82 20.54 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 O-C-N 123.191 1.1 . . . . 0.0 110.645 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 62.9 m -60.63 156.72 16.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.329 -0.857 . . . . 0.0 109.812 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.23 169.75 9.97 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.525 -0.734 . . . . 0.0 110.404 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 52.11 44.16 29.85 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.473 -0.767 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.81 29.95 75.6 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.63 150.26 51.82 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -90.08 131.77 35.77 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.588 -0.948 . . . . 0.0 110.258 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.7 t -89.86 142.81 27.34 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.666 -0.646 . . . . 0.0 109.671 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HD3' ' CE1' ' A' ' 71' ' ' PHE . 0.0 OUTLIER -145.68 134.72 22.67 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -81.31 143.68 32.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.594 -0.692 . . . . 0.0 110.478 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -150.05 -169.07 3.28 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.653 -0.654 . . . . 0.0 110.045 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.5 mm? -78.98 160.26 27.29 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.583 -0.698 . . . . 0.0 110.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 56.89 -85.55 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.632 -0.667 . . . . 0.0 110.711 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.2 p -112.0 -157.58 0.62 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.098 -1.001 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.12 -174.55 2.48 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.52 -0.737 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -149.22 139.01 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 C-N-CA 119.934 -0.706 . . . . 0.0 110.762 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.9 m -109.28 122.24 46.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.628 -0.67 . . . . 0.0 110.217 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.809 ' HB3' ' H61' ' A' ' 91' ' ' FUC . 22.3 m-85 -89.66 94.16 9.74 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.55 -0.719 . . . . 0.0 109.687 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' O ' ' H62' ' A' ' 91' ' ' FUC . 61.6 m -64.15 179.31 0.57 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.625 -0.672 . . . . 0.0 110.304 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 11.3 mt -85.0 169.96 14.85 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.673 -0.642 . . . . 0.0 109.715 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.23 -20.6 55.79 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.212 1.111 . . . . 0.0 110.677 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.16 24.87 12.14 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.451 -0.781 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 41.9 m-85 -135.2 164.18 28.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -150.17 175.83 11.39 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.535 -0.728 . . . . 0.0 110.28 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.68 152.22 19.02 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -61.41 -44.02 97.85 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.654 -0.909 . . . . 0.0 110.042 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -104.3 27.8 7.45 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.672 -0.643 . . . . 0.0 109.912 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.2 m 55.66 46.81 21.94 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.471 -0.768 . . . . 0.0 110.378 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.71 23.4 14.46 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.71 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.7 m -134.69 111.3 9.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.445 -0.784 . . . . 0.0 110.171 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -81.57 116.8 21.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.566 -0.709 . . . . 0.0 110.112 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -74.73 -33.19 62.32 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.62 -0.675 . . . . 0.0 110.202 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.77 59.74 3.79 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.597 -0.689 . . . . 0.0 110.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.27 179.55 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.38 -0.825 . . . . 0.0 110.748 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.4 154.09 25.26 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.9 t -118.38 -54.25 2.29 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.599 -0.942 . . . . 0.0 110.215 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.181 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.809 ' H61' ' HB3' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.1 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -165.65 48.59 0.09 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.628 -0.67 . . . . 0.0 110.207 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.92 175.47 14.7 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -102.1 82.69 2.25 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.582 -0.952 . . . . 0.0 110.153 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mp0 -110.31 -53.05 2.72 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.67 -0.644 . . . . 0.0 110.132 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -118.5 37.25 4.1 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.577 -0.702 . . . . 0.0 109.682 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.44 -17.12 54.93 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.726 -0.609 . . . . 0.0 111.032 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.5 p -111.05 -77.34 0.59 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.29 -0.881 . . . . 0.0 110.287 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t 178.0 68.58 0.1 Allowed Pre-proline 0 N--CA 1.499 1.998 0 O-C-N 121.298 -0.876 . . . . 0.0 110.356 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.38 -25.34 15.52 Favored 'Trans proline' 0 C--N 1.316 -1.139 0 O-C-N 123.192 1.101 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 66.8 m -60.26 155.86 16.75 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.493 -0.754 . . . . 0.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 173.23 8.18 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.544 -0.722 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.02 41.21 32.15 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.468 -0.77 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.91 29.82 73.55 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.09 153.52 52.93 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.8 m -90.84 133.17 35.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.551 -0.97 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.9 t -89.77 142.57 27.56 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.6 -0.688 . . . . 0.0 109.948 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HD2' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -147.62 129.44 15.24 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.762 -0.586 . . . . 0.0 109.48 179.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.46 146.52 46.84 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.557 -0.715 . . . . 0.0 110.347 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -145.38 -169.02 3.11 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.567 -0.708 . . . . 0.0 110.013 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.44 115.74 4.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.504 -0.748 . . . . 0.0 110.117 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 56.54 -85.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.677 -0.64 . . . . 0.0 110.746 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -62.33 -157.5 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.136 -0.977 . . . . 0.0 110.215 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 26.7 p90 -141.15 -173.94 3.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.467 -0.771 . . . . 0.0 110.039 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 62' ' ' LYS . 3.1 tt -150.16 141.96 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.571 -0.706 . . . . 0.0 110.669 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.2 m -109.99 117.19 33.12 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.576 -0.702 . . . . 0.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' CE1' ' HD2' ' A' ' 62' ' ' LYS . 42.4 m-85 -89.9 121.07 31.67 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.449 -0.782 . . . . 0.0 109.908 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.2 m -130.02 -167.78 1.86 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.468 -0.77 . . . . 0.0 110.56 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' H ' HD12 ' A' ' 73' ' ' LEU . 4.7 mp -79.89 162.13 63.51 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.693 -0.63 . . . . 0.0 110.219 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -66.87 -17.16 51.59 Favored 'Trans proline' 0 C--N 1.316 -1.147 0 O-C-N 123.292 1.154 . . . . 0.0 110.73 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.57 17.48 10.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.33 -0.856 . . . . 0.0 110.533 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 23.5 m-85 -125.06 151.63 45.39 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.264 -0.897 . . . . 0.0 110.488 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.02 178.43 8.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.61 -0.681 . . . . 0.0 110.074 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.85 156.84 11.05 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -61.06 -28.12 68.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.54 -0.977 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -131.15 38.13 3.68 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.568 -0.708 . . . . 0.0 110.221 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.7 m 53.15 43.55 31.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.408 -0.807 . . . . 0.0 110.793 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.24 23.77 13.65 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.566 -0.709 . . . . 0.0 110.593 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.2 m -144.34 110.55 5.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.47 -0.769 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.502 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 72.7 m80 -68.43 168.94 11.69 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.548 -0.72 . . . . 0.0 109.813 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -127.23 128.86 46.74 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.547 -0.72 . . . . 0.0 110.239 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -134.26 52.03 2.08 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.579 -0.701 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.61 48.96 0.88 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.196 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.82 155.12 6.32 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.1 t 52.84 -177.52 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.412 -1.052 . . . . 0.0 110.783 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.185 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.158 0.504 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 52.84 -178.57 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.417 -0.802 . . . . 0.0 110.82 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.14 -154.89 25.97 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -90.01 164.43 14.52 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.617 -0.931 . . . . 0.0 110.187 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -159.67 27.92 0.19 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.475 -0.766 . . . . 0.0 110.361 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.4 t -138.86 29.36 2.31 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.592 -0.692 . . . . 0.0 110.226 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.86 20.87 4.46 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.55 -0.719 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.1 p -132.73 25.62 4.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.271 -0.893 . . . . 0.0 110.478 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.9 t 51.58 57.36 16.53 Favored Pre-proline 0 N--CA 1.5 2.073 0 O-C-N 121.348 -0.845 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -72.64 -28.36 14.23 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.284 1.15 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.0 m -104.86 171.33 7.38 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.161 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.28 -158.76 0.82 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 53.99 43.34 30.95 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.401 -0.812 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.95 28.68 66.49 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.63 135.21 15.27 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.426 -1.47 . . . . 0.0 109.426 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.81 111.12 22.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.566 -0.961 . . . . 0.0 110.033 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 34.3 t -89.82 156.02 18.77 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.592 -0.692 . . . . 0.0 110.499 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -149.66 133.79 17.2 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.645 -0.659 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.33 122.63 19.95 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.507 -0.746 . . . . 0.0 110.214 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -126.37 -169.29 1.99 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.602 -0.686 . . . . 0.0 110.178 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.57 141.76 56.72 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.213 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 56.38 -86.18 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.692 -0.63 . . . . 0.0 110.728 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.4 m -94.61 -159.09 0.68 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.082 -1.011 . . . . 0.0 110.068 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -124.97 -169.94 2.07 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.521 -0.737 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -145.25 143.72 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.694 -0.629 . . . . 0.0 110.415 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m -129.78 122.82 29.57 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.598 -0.689 . . . . 0.0 110.761 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -89.99 94.44 9.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.636 -0.665 . . . . 0.0 109.432 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.93 176.4 1.23 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.58 -0.7 . . . . 0.0 110.18 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.1 mt -84.36 169.14 17.71 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.737 -0.602 . . . . 0.0 109.962 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.63 -24.0 48.68 Favored 'Trans proline' 0 C--N 1.315 -1.203 0 O-C-N 123.306 1.161 . . . . 0.0 110.434 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.46 23.99 11.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.466 -0.771 . . . . 0.0 110.221 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 50.6 m-85 -136.97 163.97 29.45 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.486 -0.759 . . . . 0.0 110.27 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -150.05 179.61 7.93 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.547 -0.721 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.62 150.63 17.81 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.44 -40.75 95.61 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.55 -0.971 . . . . 0.0 110.137 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -105.37 27.3 8.44 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.585 -0.697 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.97 49.04 19.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.444 -0.785 . . . . 0.0 110.43 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -116.41 24.96 10.97 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.478 -0.764 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -133.39 119.03 19.14 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.473 -0.767 . . . . 0.0 110.296 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.4 t60 -84.22 110.61 18.67 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.645 -0.659 . . . . 0.0 110.192 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -62.7 107.37 0.95 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.59 -0.694 . . . . 0.0 110.137 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.74 -33.28 5.55 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -84.66 159.29 20.6 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.591 -0.693 . . . . 0.0 110.235 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 160.98 -55.09 0.32 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.4 m -96.9 36.52 1.4 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.629 -0.924 . . . . 0.0 110.201 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.266 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.041 0.448 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.16 -71.59 0.26 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.665 -0.647 . . . . 0.0 110.204 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.87 -141.14 16.69 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.32 161.15 26.48 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.573 -0.957 . . . . 0.0 110.172 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 23.5 mt-30 -138.38 27.92 2.53 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.624 -0.673 . . . . 0.0 110.223 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.9 t -142.95 48.81 1.49 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.593 -0.692 . . . . 0.0 110.055 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.77 -44.48 11.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.561 -0.712 . . . . 0.0 110.239 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -109.05 28.19 8.74 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.614 -0.678 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t 52.3 94.55 0.05 OUTLIER Pre-proline 0 N--CA 1.501 2.108 0 O-C-N 121.372 -0.83 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.9 -33.05 8.27 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.478 1.252 . . . . 0.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.7 m -89.69 166.39 13.62 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.591 -0.693 . . . . 0.0 110.104 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.81 -159.1 0.98 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.542 -0.724 . . . . 0.0 110.488 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 98.2 m-20 53.31 53.22 12.1 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.403 -0.811 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.1 26.12 65.36 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -81.22 132.87 11.52 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.3 m -89.93 116.71 28.19 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.617 -0.931 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -89.9 149.89 22.43 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.738 -0.601 . . . . 0.0 110.374 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.28 122.69 9.69 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.68 -0.637 . . . . 0.0 109.943 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -71.03 122.92 20.92 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.487 -0.758 . . . . 0.0 110.313 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -122.37 -169.32 1.88 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.696 HD13 ' N ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -64.75 134.43 54.15 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.688 -0.633 . . . . 0.0 110.229 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.696 ' N ' HD13 ' A' ' 65' ' ' LEU . 20.2 mt-30 56.31 -86.38 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.718 -0.614 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.1 p -84.12 -158.0 0.3 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.184 -0.947 . . . . 0.0 110.119 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 49' ' ' GLN . 42.6 p90 -132.98 -170.6 2.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.487 -0.758 . . . . 0.0 110.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 tt -150.12 140.85 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.616 -0.677 . . . . 0.0 110.416 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 m -119.73 128.72 54.04 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.633 -0.667 . . . . 0.0 110.385 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.59 113.24 25.9 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.622 -0.674 . . . . 0.0 109.735 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 22.0 m -123.64 179.35 4.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.714 . . . . 0.0 110.407 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.72 164.02 44.1 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.696 -0.628 . . . . 0.0 110.153 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.1 -10.72 29.77 Favored 'Trans proline' 0 N--CA 1.487 1.13 0 O-C-N 123.403 1.212 . . . . 0.0 111.298 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.45 -16.44 30.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.229 -0.919 . . . . 0.0 110.663 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.1 m-85 -97.82 159.91 14.63 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.245 -0.909 . . . . 0.0 110.266 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.0 179.82 7.75 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.547 -0.721 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.81 152.22 18.83 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -60.73 -37.36 81.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.48 -1.012 . . . . 0.0 110.124 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -113.19 32.26 5.87 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.567 -0.708 . . . . 0.0 110.003 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 46.3 m 53.03 42.07 32.21 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.427 -0.795 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 6.5 pt-20 -107.51 24.92 12.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.51 -0.744 . . . . 0.0 110.433 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.4 HG22 ' HG2' ' A' ' 85' ' ' LYS . 61.4 m -139.66 101.5 4.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.126 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 3.5 t-160 -76.25 90.33 3.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.595 -0.691 . . . . 0.0 110.152 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.4 ' HG2' HG22 ' A' ' 83' ' ' THR . 2.4 mmpt? -81.33 84.91 6.51 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.564 -0.71 . . . . 0.0 110.161 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -72.27 73.02 0.95 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.581 -0.699 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.13 163.4 6.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.545 -0.722 . . . . 0.0 110.116 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.16 32.44 2.39 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.2 p -166.77 -43.96 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.592 -0.946 . . . . 0.0 110.199 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.202 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.083 0.468 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -88.4 125.93 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.531 -0.731 . . . . 0.0 110.178 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.5 -136.98 4.61 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.59 ' OD2' ' HB2' ' A' ' 51' ' ' ALA . 3.0 t70 -89.92 123.08 33.55 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.496 -1.002 . . . . 0.0 110.26 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -113.17 -27.33 8.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.579 -0.701 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 t -101.47 26.86 6.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.494 -0.754 . . . . 0.0 110.113 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.59 ' HB2' ' OD2' ' A' ' 48' ' ' ASP . . . -59.36 -27.34 65.86 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.568 -0.707 . . . . 0.0 110.459 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -130.81 23.37 4.99 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.494 -0.754 . . . . 0.0 110.664 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 t 51.1 80.76 0.28 Allowed Pre-proline 0 N--CA 1.502 2.135 0 O-C-N 121.276 -0.89 . . . . 0.0 111.004 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.59 -28.33 14.43 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 O-C-N 123.386 1.203 . . . . 0.0 110.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 76.7 m -63.95 154.75 33.03 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.522 -0.737 . . . . 0.0 109.916 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -125.89 174.06 8.66 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.497 -0.752 . . . . 0.0 110.465 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 52.56 49.05 21.23 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.783 . . . . 0.0 110.956 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.34 30.13 73.31 Favored Glycine 0 N--CA 1.494 2.537 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.09 140.5 27.69 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.9 m -90.44 125.33 35.53 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.606 -0.938 . . . . 0.0 110.015 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.01 134.28 34.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.591 -0.693 . . . . 0.0 110.852 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.485 ' HB2' HG23 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -126.1 118.16 24.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 109.791 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -68.91 112.86 5.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.615 -0.678 . . . . 0.0 110.236 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -121.43 -175.44 3.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.549 -0.72 . . . . 0.0 110.18 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 66' ' ' GLN . 2.8 tt -61.05 148.37 40.54 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.594 -0.691 . . . . 0.0 110.191 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' N ' HD23 ' A' ' 65' ' ' LEU . 8.0 mm-40 56.63 -85.92 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.789 -0.569 . . . . 0.0 110.717 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.3 p -104.95 -160.45 0.76 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.126 -0.984 . . . . 0.0 110.075 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -119.3 -168.97 1.66 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.56 -0.712 . . . . 0.0 110.346 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' ' 62' ' ' LYS . 2.9 tt -147.47 126.33 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.406 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 53.2 m -89.89 111.54 22.62 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.569 -0.707 . . . . 0.0 110.336 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.433 ' O ' ' H61' ' A' ' 91' ' ' FUC . 29.5 m-85 -89.94 98.62 11.88 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.553 -0.717 . . . . 0.0 109.701 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.7 m -109.59 -169.03 1.4 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.587 -0.696 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.53 163.17 55.56 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.734 -0.604 . . . . 0.0 110.117 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.11 -17.43 50.71 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.331 1.174 . . . . 0.0 110.819 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.01 13.88 13.68 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 37.9 m-85 -126.97 151.81 48.03 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.159 -0.963 . . . . 0.0 110.276 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.95 177.67 9.63 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.609 -0.682 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.76 161.4 14.22 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -61.14 -38.68 87.28 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.531 -0.982 . . . . 0.0 110.121 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -120.26 36.25 4.61 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.589 -0.694 . . . . 0.0 110.055 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.8 m 53.45 51.04 16.07 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.553 -0.717 . . . . 0.0 110.734 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -117.66 26.93 9.36 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.605 -0.684 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.41 95.26 2.9 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.538 -0.726 . . . . 0.0 110.194 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 t60 -61.49 115.09 3.62 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.538 -0.726 . . . . 0.0 110.12 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -61.53 -70.62 0.18 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.563 -0.71 . . . . 0.0 110.134 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 t0 52.88 50.09 18.8 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.399 -0.813 . . . . 0.0 110.777 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.58 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.618 -0.676 . . . . 0.0 110.781 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 72.15 -159.69 53.81 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.7 t -102.72 -43.45 5.58 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.536 -0.979 . . . . 0.0 110.198 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.139 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.773 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.433 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.069 0.461 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -72.07 -39.64 68.87 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.603 -0.686 . . . . 0.0 110.187 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.27 -172.54 9.22 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.33 124.18 48.73 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.541 -0.976 . . . . 0.0 110.208 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.407 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 23.5 mm-40 -114.0 -27.5 7.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.593 -0.692 . . . . 0.0 110.431 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -65.09 -27.95 69.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.473 -0.767 . . . . 0.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.53 -23.72 58.9 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.538 -0.726 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -89.69 -18.22 26.83 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.411 -0.806 . . . . 0.0 110.747 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.0 m 54.34 57.54 12.37 Favored Pre-proline 0 N--CA 1.501 2.12 0 O-C-N 121.132 -0.98 . . . . 0.0 110.519 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -72.61 -26.9 15.96 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.298 1.157 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 83.9 m -85.47 171.41 11.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.479 -0.763 . . . . 0.0 110.228 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.41 -165.8 1.62 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.507 -0.746 . . . . 0.0 110.707 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 52.74 24.3 3.16 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.5 -0.75 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.14 33.03 78.01 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.65 156.34 39.73 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 m -89.84 103.44 16.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.561 -0.964 . . . . 0.0 110.166 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.2 p -89.06 139.77 30.12 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.598 -0.689 . . . . 0.0 110.79 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.38 131.35 52.98 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.649 -0.657 . . . . 0.0 109.737 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -67.93 111.29 4.29 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.561 -0.712 . . . . 0.0 110.338 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' HG3' HG22 ' A' ' 69' ' ' ILE . 6.2 mt-30 -115.0 -171.25 1.91 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.57 -0.706 . . . . 0.0 109.983 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.99 131.73 51.6 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.463 -0.773 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 56.78 -85.47 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.719 -0.613 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -83.57 -156.71 0.21 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.16 -0.962 . . . . 0.0 110.319 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' A' ' 49' ' ' GLN . 34.8 p90 -134.49 -169.27 2.3 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.575 -0.703 . . . . 0.0 110.593 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 64' ' ' GLN . 2.9 tt -145.91 130.48 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.707 -0.621 . . . . 0.0 110.087 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.9 m -115.06 131.1 57.04 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.441 -0.787 . . . . 0.0 111.25 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -99.51 105.67 17.6 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 57.3 m -71.96 -169.24 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.565 -0.709 . . . . 0.0 110.366 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -103.35 169.67 7.12 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.818 -0.551 . . . . 0.0 110.06 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.05 -22.42 47.72 Favored 'Trans proline' 0 C--N 1.315 -1.186 0 O-C-N 123.339 1.178 . . . . 0.0 110.598 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.04 23.73 13.13 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.441 -0.787 . . . . 0.0 110.294 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.2 m-85 -132.63 170.09 15.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.464 -0.772 . . . . 0.0 110.426 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -150.27 174.27 13.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.651 -0.656 . . . . 0.0 110.208 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.85 152.7 19.15 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -70.49 -35.54 73.31 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.582 -0.952 . . . . 0.0 110.098 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -105.18 25.25 10.82 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.68 -0.638 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.4 m 53.32 57.88 5.79 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.354 -0.841 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -132.41 23.26 4.4 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.385 -0.822 . . . . 0.0 110.667 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 m -133.26 97.31 3.94 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.262 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.5 t60 -60.83 121.72 13.02 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.483 -0.761 . . . . 0.0 110.095 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -61.09 -73.38 0.1 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.507 -0.746 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t0 52.64 62.43 2.7 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.35 -0.844 . . . . 0.0 110.738 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.99 121.28 12.02 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.591 -0.693 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.32 -81.47 0.04 OUTLIER Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -167.73 -71.57 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.62 -0.929 . . . . 0.0 110.213 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.229 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.081 0.467 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 55.54 -86.53 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.709 -0.619 . . . . 0.0 110.991 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.04 159.11 30.78 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -110.58 109.69 20.1 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.571 -0.958 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -125.18 -41.82 2.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.498 -0.751 . . . . 0.0 110.174 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 46.5 t -66.82 -20.53 65.95 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.576 -0.703 . . . . 0.0 110.621 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -88.94 49.66 1.82 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.384 -0.822 . . . . 0.0 110.463 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.7 m -150.27 21.37 0.85 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.529 -0.732 . . . . 0.0 110.586 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 12.7 p 48.91 51.25 10.56 Favored Pre-proline 0 N--CA 1.502 2.159 0 O-C-N 121.421 -0.799 . . . . 0.0 111.39 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 53' ' ' SER . 49.4 Cg_endo -74.62 -48.8 0.18 Allowed 'Trans proline' 0 C--N 1.318 -1.055 0 O-C-N 123.192 1.101 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.8 m -82.86 162.6 21.55 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -138.31 -161.72 1.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.465 -0.772 . . . . 0.0 110.661 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 62.3 m-80 53.29 46.36 26.59 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.629 -0.669 . . . . 0.0 111.144 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.08 27.83 63.04 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.86 136.39 27.34 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m -89.74 103.72 16.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.515 -0.991 . . . . 0.0 109.86 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.6 t -89.53 150.7 22.33 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.643 -0.661 . . . . 0.0 110.422 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.52 138.47 34.59 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.736 -0.603 . . . . 0.0 109.75 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -81.79 119.68 24.19 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.549 -0.72 . . . . 0.0 110.38 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.59 -166.05 1.53 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.686 -0.634 . . . . 0.0 110.09 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.4 155.34 34.1 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.169 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 56.51 -85.82 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.671 -0.643 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 m -106.03 -157.72 0.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.109 -0.994 . . . . 0.0 110.346 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -120.2 -170.4 1.96 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.415 HG12 ' CZ ' ' A' ' 71' ' ' PHE . 3.2 tt -147.35 140.14 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.594 -0.691 . . . . 0.0 110.415 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.6 m -126.05 120.09 29.33 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.621 -0.674 . . . . 0.0 110.637 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.516 ' O ' ' H61' ' A' ' 91' ' ' FUC . 95.7 m-85 -97.39 105.11 17.2 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.597 -0.689 . . . . 0.0 109.433 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.1 m -111.5 -170.79 1.71 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.575 -0.703 . . . . 0.0 110.595 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.64 162.93 40.55 Favored Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.628 -0.67 . . . . 0.0 110.139 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.47 -16.84 52.4 Favored 'Trans proline' 0 C--N 1.317 -1.119 0 O-C-N 123.33 1.174 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.45 18.64 9.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.303 -0.873 . . . . 0.0 110.414 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' CE2' ' CD2' ' A' ' 84' ' ' HIS . 31.1 m-85 -132.41 135.96 46.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.358 -0.839 . . . . 0.0 110.517 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -135.86 -168.54 2.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.656 -0.653 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.9 156.22 20.7 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -59.44 -26.17 64.97 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.467 -1.019 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -132.54 40.3 3.29 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.517 -0.739 . . . . 0.0 110.217 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 45.7 m 50.68 31.26 5.63 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.279 -0.888 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -95.21 18.41 12.38 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.573 -0.704 . . . . 0.0 110.93 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 61.0 m -139.95 142.04 36.4 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.287 -0.883 . . . . 0.0 110.723 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 76' ' ' PHE . 68.9 m80 -94.08 121.53 35.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.677 -0.64 . . . . 0.0 109.917 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -63.36 -31.4 72.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.388 -0.82 . . . . 0.0 110.054 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -72.22 73.85 0.95 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.558 -0.714 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -80.13 -29.8 38.96 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.451 -0.781 . . . . 0.0 110.165 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.59 -138.64 7.05 Favored Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.7 p -141.08 148.64 40.49 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.537 -0.978 . . . . 0.0 110.212 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.198 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.516 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.048 0.452 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.47 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.679 -0.638 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.11 113.84 0.63 Allowed Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.34 143.5 32.01 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.536 -0.979 . . . . 0.0 110.213 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -138.98 27.63 2.38 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.6 -0.687 . . . . 0.0 110.431 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.17 -16.91 13.33 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.53 -0.731 . . . . 0.0 110.699 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.5 -19.97 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.241 -0.912 . . . . 0.0 110.997 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -89.54 13.49 13.8 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.272 -0.892 . . . . 0.0 111.108 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m 50.47 55.12 16.46 Favored Pre-proline 0 N--CA 1.502 2.145 0 O-C-N 121.071 -1.018 . . . . 0.0 111.063 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.07 -27.66 13.72 Favored 'Trans proline' 0 C--N 1.316 -1.151 0 O-C-N 123.293 1.154 . . . . 0.0 110.484 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 75.9 m -87.16 172.2 10.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.521 -0.737 . . . . 0.0 110.055 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.82 -165.47 2.11 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.478 -0.764 . . . . 0.0 111.068 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 53.41 24.35 3.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.678 -0.639 . . . . 0.0 111.151 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.11 28.94 64.69 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.25 162.99 27.23 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -89.62 106.31 18.37 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.566 -0.961 . . . . 0.0 109.903 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.61 155.83 18.99 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.646 -0.659 . . . . 0.0 110.687 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -150.01 139.0 21.04 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.735 -0.603 . . . . 0.0 109.845 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.41 134.55 37.38 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.542 -0.724 . . . . 0.0 110.094 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -142.39 -169.18 2.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.648 -0.658 . . . . 0.0 110.168 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 153.16 40.48 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.597 -0.689 . . . . 0.0 110.217 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 56.45 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.673 -0.642 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -107.65 -160.8 0.75 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.071 -1.018 . . . . 0.0 110.222 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -114.5 -169.89 1.63 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.597 -0.69 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' ' 69' ' ' ILE . 2.6 tt -150.11 124.93 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.706 -0.621 . . . . 0.0 110.413 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.7 m -116.63 126.46 53.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.549 -0.72 . . . . 0.0 110.81 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.706 ' O ' ' H61' ' A' ' 91' ' ' FUC . 97.9 m-85 -89.87 105.37 17.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.653 -0.654 . . . . 0.0 109.253 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 58.1 m -70.43 172.6 8.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.544 -0.723 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 12.0 mt -84.65 168.83 18.9 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.63 -24.21 48.44 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 O-C-N 123.3 1.158 . . . . 0.0 110.478 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.63 23.98 11.18 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.148 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.493 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 43.7 m-85 -135.66 166.27 23.62 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.399 -0.813 . . . . 0.0 110.276 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -150.09 178.97 8.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.582 -0.698 . . . . 0.0 110.223 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 105.23 147.48 16.02 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.9 mtm-85 -61.43 -38.89 88.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.571 -0.958 . . . . 0.0 110.1 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -103.56 25.73 9.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.583 -0.698 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 59.9 m 52.98 48.57 22.11 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.431 -0.793 . . . . 0.0 110.555 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -114.45 22.25 13.85 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.466 -0.771 . . . . 0.0 110.661 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -125.45 149.5 48.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.368 -0.832 . . . . 0.0 110.17 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 1.2 t60 -115.3 86.26 2.43 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.603 -0.686 . . . . 0.0 110.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -82.86 -54.19 5.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 t70 52.83 36.69 22.14 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.438 -0.789 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -109.47 -67.11 1.01 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.583 -0.698 . . . . 0.0 110.165 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.41 -112.77 0.54 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 57.7 p -85.35 177.07 7.93 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.555 -0.968 . . . . 0.0 110.202 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.242 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.706 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.026 0.441 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -103.45 51.76 0.78 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.631 -0.668 . . . . 0.0 110.164 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.19 30.26 4.6 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -111.74 28.7 8.5 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.521 -0.988 . . . . 0.0 110.227 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 mp0 -92.75 -28.87 16.34 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.548 -0.72 . . . . 0.0 110.239 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 t -108.74 29.86 7.04 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.528 -0.732 . . . . 0.0 110.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.04 -25.78 34.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.552 -0.718 . . . . 0.0 110.509 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -94.13 18.05 11.46 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.505 -0.747 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 55.0 m 50.96 67.22 4.52 Favored Pre-proline 0 N--CA 1.502 2.16 0 O-C-N 121.173 -0.954 . . . . 0.0 110.914 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' CB ' ' CZ ' ' A' ' 68' ' ' TYR . 46.8 Cg_endo -73.12 -43.23 0.77 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 O-C-N 123.271 1.143 . . . . 0.0 110.448 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.0 m -68.43 132.61 47.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.616 -0.677 . . . . 0.0 109.685 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -132.18 -170.39 2.41 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.455 -0.778 . . . . 0.0 110.688 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 82' ' ' GLU . 72.3 m-20 53.67 45.79 27.29 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.52 -0.737 . . . . 0.0 110.974 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.07 28.28 66.19 Favored Glycine 0 N--CA 1.494 2.554 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.97 150.82 22.49 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.4 m -89.92 156.51 18.4 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.591 -0.947 . . . . 0.0 109.953 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.3 t -121.96 143.72 49.3 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.507 -0.745 . . . . 0.0 110.613 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -138.64 129.61 26.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.749 -0.595 . . . . 0.0 109.915 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -76.86 123.61 26.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.581 -0.699 . . . . 0.0 110.373 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.504 ' HG3' HG22 ' A' ' 69' ' ' ILE . 14.6 mt-30 -128.3 -178.65 4.64 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.614 -0.679 . . . . 0.0 110.09 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 65' ' ' LEU . 1.8 mm? -61.43 153.81 26.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.704 . . . . 0.0 110.085 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 55.88 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.693 -0.63 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.5 p -107.46 -158.64 0.66 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.122 -0.987 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CZ ' ' CB ' ' A' ' 54' ' ' PRO . 50.8 p90 -118.8 -169.86 1.8 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.601 -0.687 . . . . 0.0 110.276 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 64' ' ' GLN . 3.6 tt -149.84 129.09 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.872 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.1 m -96.95 125.98 41.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.667 -0.646 . . . . 0.0 110.053 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' O ' ' H61' ' A' ' 91' ' ' FUC . 41.6 m-85 -89.75 105.9 18.11 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.484 -0.76 . . . . 0.0 109.365 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 59.8 m -85.79 170.87 12.03 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.598 -0.689 . . . . 0.0 110.636 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' HG ' ' H62' ' A' ' 91' ' ' FUC . 11.7 mt -87.76 170.8 10.86 Favored Pre-proline 0 N--CA 1.491 1.624 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -64.99 -15.01 48.45 Favored 'Trans proline' 0 C--N 1.316 -1.182 0 O-C-N 123.169 1.089 . . . . 0.0 110.735 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.83 27.77 8.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.345 -0.847 . . . . 0.0 109.946 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' NE2' ' A' ' 84' ' ' HIS . 32.1 m-85 -137.4 164.53 28.42 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.51 -0.744 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -150.17 172.93 14.52 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.662 . . . . 0.0 110.127 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 103.09 -178.67 25.76 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -88.19 -39.45 14.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.591 -0.947 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -105.64 27.89 8.0 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.758 . . . . 0.0 110.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.66 26.57 11.39 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.436 -0.79 . . . . 0.0 110.284 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.432 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -76.33 -21.08 56.62 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.616 -0.677 . . . . 0.0 110.891 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.6 m -96.61 155.24 16.85 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.389 -0.819 . . . . 0.0 110.763 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.4 ' NE2' ' CE2' ' A' ' 76' ' ' PHE . 28.9 m80 -113.72 152.39 30.57 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.716 -0.615 . . . . 0.0 109.806 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -134.74 91.65 2.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.377 -0.827 . . . . 0.0 110.234 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -152.16 65.62 0.84 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.721 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 t0 52.91 -179.68 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.366 -0.834 . . . . 0.0 110.79 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.1 -144.08 5.79 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.5 t 52.8 78.68 0.13 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.441 -1.035 . . . . 0.0 110.821 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.186 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . 0.528 ' H61' ' O ' ' A' ' 71' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.067 0.46 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.21 141.69 36.3 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.601 -0.687 . . . . 0.0 110.245 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.17 116.54 0.01 OUTLIER Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.68 -70.6 0.76 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.6 -0.941 . . . . 0.0 110.202 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 52.62 26.47 4.39 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.467 -0.771 . . . . 0.0 110.816 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 53.0 t -117.23 -8.46 11.12 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.542 -0.724 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.83 21.88 3.89 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.12 -0.987 . . . . 0.0 111.057 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -120.0 22.4 11.49 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.232 -0.918 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.7 m 50.58 52.56 12.57 Favored Pre-proline 0 N--CA 1.502 2.166 0 O-C-N 121.273 -0.892 . . . . 0.0 110.977 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 68' ' ' TYR . 47.5 Cg_endo -73.9 -35.56 4.25 Favored 'Trans proline' 0 C--N 1.316 -1.152 0 O-C-N 123.294 1.155 . . . . 0.0 110.522 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 69.9 m -73.25 143.75 46.96 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.506 -0.746 . . . . 0.0 109.94 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -121.93 179.04 4.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.538 -0.726 . . . . 0.0 110.47 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 77.8 m-20 52.68 46.88 25.86 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.483 -0.761 . . . . 0.0 111.119 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 60.7 31.95 77.13 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.814 -1.314 . . . . 0.0 109.814 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.2 143.2 28.25 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -89.92 122.21 32.74 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.638 -0.919 . . . . 0.0 109.939 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.94 143.59 26.65 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.581 -0.699 . . . . 0.0 110.494 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -142.33 139.96 31.96 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.761 -0.587 . . . . 0.0 109.835 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.16 126.32 29.78 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.609 -0.682 . . . . 0.0 110.122 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -129.31 -168.89 2.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.623 -0.673 . . . . 0.0 110.116 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -60.69 122.56 15.06 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.715 . . . . 0.0 110.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 57.08 -85.07 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.787 -0.57 . . . . 0.0 110.817 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.0 m -75.78 -157.67 0.08 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.196 -0.94 . . . . 0.0 110.239 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 54' ' ' PRO . 48.4 p90 -130.13 -169.42 2.13 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.559 -0.713 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 tt -146.48 136.36 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 120.019 -0.672 . . . . 0.0 110.749 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -102.89 111.69 24.14 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.593 -0.692 . . . . 0.0 110.248 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -89.84 98.38 11.73 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.553 -0.717 . . . . 0.0 109.647 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 74.1 m -110.2 -168.98 1.38 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.684 -0.635 . . . . 0.0 110.635 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.31 162.48 42.89 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.096 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.28 -16.32 48.0 Favored 'Trans proline' 0 C--N 1.315 -1.188 0 O-C-N 123.325 1.171 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.84 13.04 15.5 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.265 -0.897 . . . . 0.0 110.802 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CZ ' ' CE1' ' A' ' 84' ' ' HIS . 32.2 m-85 -122.25 154.19 37.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.21 -0.931 . . . . 0.0 110.241 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.12 -177.62 5.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.563 -0.711 . . . . 0.0 110.234 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.96 153.29 11.4 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -61.0 -31.09 70.7 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.608 -0.936 . . . . 0.0 110.103 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -128.89 40.73 3.59 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.606 -0.684 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 21.8 m 53.48 48.38 21.93 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.397 -0.814 . . . . 0.0 110.676 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -116.93 24.94 10.87 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.531 -0.73 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.1 m -141.03 105.38 4.84 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.492 -0.755 . . . . 0.0 110.152 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.471 ' CE1' ' CZ ' ' A' ' 76' ' ' PHE . 2.8 t-160 -77.53 113.61 15.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.571 -0.706 . . . . 0.0 110.13 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -81.49 79.72 8.03 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.558 -0.714 . . . . 0.0 110.156 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.89 91.36 8.33 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.571 -0.706 . . . . 0.0 110.153 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.36 30.07 4.21 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.606 -0.683 . . . . 0.0 110.25 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.34 53.27 0.74 Allowed Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.8 p 50.31 -160.05 0.07 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.602 -0.94 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.14 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.759 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_